SCHEMBL4363853

SCHEMBL4363853

COc1cccc2oc(C(=O)NC(=S)Nc3ccc(OCc4ccccc4)cc3)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
MAPT P10636 7/20 0.57
ALOX12 P18054 2/20 0.57
LMNA P02545 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.54
GAA P10253 1/20 0.54
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
POLB P06746 1/20 0.52
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.49
MMP2 P08253 1/20 0.49
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
PKM P14618 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MET P08581 1/20 0.47
KIT P10721 1/20 0.47

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
SCHEMBL13956879 0.86 MAPT (0.48) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL14096100 0.83 MAPT (0.67) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2915045 0.81 KMT2A (0.55) ALDH1A1MAPTALOX12LMNAL3MBTL1
SCHEMBL4363847 0.81 ABCG2 (0.43) ALDH1A1MAPTLMNAL3MBTL1SMN1; SMN2
SCHEMBL13956772 0.79 KMT2A (0.59) ALDH1A1MAPTALOX12LMNAL3MBTL1
SCHEMBL4540503 0.79 KMT2A (0.56) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL14136967 0.78 MAPT (0.54) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL13956767 0.78 MEN1 (0.57) ALDH1A1MAPTALOX12LMNAL3MBTL1
SCHEMBL4361550 0.78 MEN1 (0.65) ALDH1A1MAPTL3MBTL1SMN1; SMN2MEN1
SCHEMBL2915259 0.76 KMT2A (0.55) ALDH1A1MAPTALOX12LMNAL3MBTL1

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 12 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
EP-1562895-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION Achillion Pharmaceuticals, Inc. (US) 2005-08-17 EP claimed
US-20040138205-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2004-07-15 US claimed
WO-2004046095-A1 SUBSTITUTED ARYL THIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2004-06-03 WO claimed
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 (3 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 ALDH1A1 310/4885MAPT 3454/4885ALOX12 2459/4885
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 ALDH1A1 2930/4885MAPT 4038/4885ALOX12 2196/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 ALDH1A1 221/4885MAPT 3752/4885ALOX12 1395/4885

“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.