SCHEMBL4361940

SCHEMBL4361940

Cc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1cc2ccccc2o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 1.00
▸ HPGD P15428 4/20 1.00
▸ ALDH1A1 P00352 4/20 1.00
▸ KMT2A Q03164 5/20 0.71
▸ MEN1 O00255 4/20 0.71
▸ MAPT P10636 4/20 0.66
▸ POLB P06746 1/20 0.63
▸ TSHR P16473 2/20 0.62
▸ NPSR1 Q6W5P4 2/20 0.62
▸ HSD17B10 Q99714 2/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ KDM4E B2RXH2 3/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ TP53 P04637 4/20 0.58
▸ NPC1 O15118 2/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ PCSK9 Q8NBP7 1/20 0.56
▸ HTT P42858 1/20 0.55
▸ SAE1 Q9UBE0 1/20 0.55
▸ UBA2 Q9UBT2 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14096547 0.89 ALDH1A1 (0.79) SMN1; SMN2HPGDALDH1A1KMT2AMEN1
SCHEMBL24710992 0.79 MAPT (1.00) SMN1; SMN2HPGDALDH1A1MAPTPOLB
SCHEMBL14096436 0.75 NPC1 (0.62) SMN1; SMN2HPGDALDH1A1KMT2AMEN1
SCHEMBL14096650 0.73 NPC1 (0.67) SMN1; SMN2HPGDALDH1A1KMT2AMEN1
SCHEMBL14096127 0.73 MAPT (0.61) SMN1; SMN2HPGDALDH1A1KMT2AMEN1
SCHEMBL27202488 0.73 DDX3X (0.73) SMN1; SMN2HPGDALDH1A1KMT2AMEN1
SCHEMBL14096079 0.72 MAPT (0.78) SMN1; SMN2ALDH1A1KMT2AMEN1MAPT
SCHEMBL19748087 0.72 PCSK9 (1.00) SMN1; SMN2HPGDALDH1A1KMT2AMEN1
SCHEMBL30445476 0.71 TP53 (0.65) SMN1; SMN2HPGDALDH1A1KMT2AMEN1
SCHEMBL25211272 0.71 TP53 (0.65) SMN1; SMN2HPGDALDH1A1KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 — — US claimed
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication CHEN DAWEI 2006-01-19 — — US claimed
US-20040138205-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2004-07-15 — — US claimed
US-20140255386-A1 MICRORNA MODULATORS AND METHOD FOR IDENTIFYING AND USING THE SAME NORTH CAROLINA STATE UNIVERSITY (US) 2014-09-11 — — US disclosed
US-20140255386-A1 MICRORNA MODULATORS AND METHOD FOR IDENTIFYING AND USING THE SAME NORTH CAROLINA STATE UNIVERSITY (US) 2014-09-11 — — US disclosed
WO-2013019469-A1 MICRORNA MODULATORS AND METHOD FOR IDENTIFYING AND USING THE SAME THE WISTAR INSTITUTE (US) 2013-02-07 — — WO disclosed
US-20130023498-A1 MicroRNA Modulators and Method for Identifying and Using the Same The Wistar Institute and North Carolina State University 2013-01-24 — — US disclosed
US-20130023498-A1 MicroRNA Modulators and Method for Identifying and Using the Same The Wistar Institute and North Carolina State University 2013-01-24 — — US disclosed
US-20120010177-A1 MicroRNA Modulators and Method for Identifying And Using The Same The Wistar Institute / North Carolina State University (US) 2012-01-12 — — US disclosed
US-20120010177-A1 MicroRNA Modulators and Method for Identifying And Using The Same The Wistar Institute / North Carolina State University (US) 2012-01-12 — — US disclosed
US-20100196357-A1 Microrna modulators and method for identifying and using the same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-08-05 — — US disclosed
US-20100196357-A1 Microrna modulators and method for identifying and using the same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-08-05 — — US disclosed
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 — — US disclosed
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 — — US disclosed
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 — — US disclosed
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 — — US disclosed
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 — — US disclosed
US-7094807-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2006-08-22 — — US disclosed
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication CHEN DAWEI 2006-01-19 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040138205-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, TPMT SMN1; SMN2 2545/4885HPGD 3824/4885ALDH1A1 310/4885
US-20100196357-A1 Microrna modulators and method for identifying and using the same AGO2, RNASE1, TRDMT1 SMN1; SMN2 3647/4885HPGD 3636/4885ALDH1A1 3478/4885
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 SMN1; SMN2 4344/4885HPGD 919/4885ALDH1A1 2930/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 SMN1; SMN2 2335/4885HPGD 3743/4885ALDH1A1 221/4885
US-20130023498-A1 MicroRNA Modulators and Method for Identifying and Using the Same AGO2, RNASE1, TRDMT1 SMN1; SMN2 3647/4885HPGD 3636/4885ALDH1A1 3478/4885
US-20120010177-A1 MicroRNA Modulators and Method for Identifying And Using The Same AGO2, RNASE1, TRDMT1 SMN1; SMN2 3647/4885HPGD 3636/4885ALDH1A1 3478/4885
US-20140255386-A1 MICRORNA MODULATORS AND METHOD FOR IDENTIFYING AND USING THE SAME AGO2, RNASE1, TRDMT1 SMN1; SMN2 3647/4885HPGD 3636/4885ALDH1A1 3478/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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