SCHEMBL4373600

SCHEMBL4373600

Cc1cc(C(=O)NC(=S)Nc2cccc(OCCc3ccccc3)c2)no1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 4/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 3/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 6/20 0.49
ALOX12 P18054 3/20 0.49
NR1H4 Q96RI1 1/20 0.48
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
RECQL P46063 1/20 0.47
CYP2D6 P10635 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 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
SCHEMBL13956779 0.90 MEN1 (0.62) ALDH1A1SMN1; SMN2LMNARAB9ANPC1
SCHEMBL2869574 0.85 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNARAB9ANPC1
SCHEMBL4370520 0.85 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2LMNARAB9ANPC1
SCHEMBL13956790 0.84 RAB9A (0.56) ALDH1A1SMN1; SMN2LMNARAB9ANPC1
SCHEMBL2862776 0.84 KMT2A (0.55) ALDH1A1SMN1; SMN2LMNARAB9ANPC1
SCHEMBL14096304 0.80 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNARAB9ANPC1
SCHEMBL4360463 0.80 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNARAB9ANPC1
SCHEMBL4365221 0.80 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNARAB9ANPC1
SCHEMBL14096069 0.79 USP2 (0.53) ALDH1A1SMN1; SMN2LMNARAB9ANPC1
SCHEMBL4373602 0.79 CYP1A2 (0.46) ALDH1A1SMN1; SMN2LMNARAB9ANPC1

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 11 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

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 310/4885SMN1; SMN2 2545/4885LMNA 3749/4885
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 ALDH1A1 2930/4885SMN1; SMN2 4344/4885LMNA 2039/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 ALDH1A1 221/4885SMN1; SMN2 2335/4885LMNA 3239/4885

“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.