SCHEMBL4363349

SCHEMBL4363349

Cc1nc(C)c(C(=O)NC(=S)Nc2cccc(OC3Cc4ccccc4C3)c2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.48
NPC1 O15118 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
TP53 P04637 1/20 0.48
RECQL P46063 2/20 0.47
POLB P06746 1/20 0.45
ALDH1A1 P00352 7/20 0.44
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
P2RX2 Q9UBL9 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
MAPT P10636 6/20 0.40
CLK1 P49759 1/20 0.40
CRHBP P24387 2/20 0.40
CRHR2 Q13324 2/20 0.40

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
SCHEMBL13956819 0.83 RAB9A (0.56) RAB9ANPC1SMN1; SMN2TP53RECQL
SCHEMBL4373622 0.81 ALDH1A1 (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL4369912 0.80 KDR (0.45) RAB9ANPC1SMN1; SMN2RECQLPOLB
SCHEMBL2865901 0.80 STAT1 (0.40) RAB9ANPC1SMN1; SMN2TP53POLB
SCHEMBL2866745 0.80 MAPT (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL14096294 0.79 ALDH1A1 (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1HTT
SCHEMBL14096304 0.78 ALDH1A1 (0.50) RAB9ANPC1SMN1; SMN2TP53RECQL
SCHEMBL4361359 0.78 KDR (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL2862874 0.76 ALDH1A1 (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL14096213 0.76 ALDH1A1 (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1

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 RAB9A 2176/4885NPC1 107/4885SMN1; SMN2 2545/4885
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 RAB9A 3144/4885NPC1 886/4885SMN1; SMN2 4344/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 RAB9A 2273/4885NPC1 151/4885SMN1; SMN2 2335/4885

“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.