SCHEMBL3145513

SCHEMBL3145513

CCCCCOc1ccc(NC(=S)NC(=O)c2ccc(N3CCN(C)CC3)nc2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
ALDH1A1 P00352 6/20 0.48
TDP1 Q9NUW8 3/20 0.48
MAPK1 P28482 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.44
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HDAC2 Q92769 2/20 0.43
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
HSD17B10 Q99714 1/20 0.42
AXL P30530 1/20 0.42
S1PR4 O95977 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
S1PR5 Q9H228 1/20 0.42
HDAC10 Q969S8 1/20 0.41
HDAC3 O15379 1/20 0.41
CYP1A2 P05177 1/20 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
SCHEMBL3151131 0.91 KCNQ3 (0.49) MAPTALDH1A1TDP1MAPK1SMN1; SMN2
SCHEMBL3141081 0.91 MAPT (0.49) MAPTALDH1A1TDP1MAPK1SMN1; SMN2
SCHEMBL3155297 0.90 SMN1; SMN2 (0.49) MAPTALDH1A1TDP1MAPK1SMN1; SMN2
SCHEMBL3150288 0.87 MET (0.44) MAPTALDH1A1TDP1MAPK1SMN1; SMN2
SCHEMBL3150521 0.86 RAB9A (0.52) MAPTALDH1A1TDP1MAPK1SMN1; SMN2
SCHEMBL3146323 0.86 MAPT (0.58) MAPTALDH1A1TDP1MAPK1SMN1; SMN2
SCHEMBL3203824 0.83 S1PR4 (0.47) MAPTALDH1A1MAPK1SMN1; SMN2S1PR4
SCHEMBL2862299 0.83 CHIA (0.49) MAPTALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL13478828 0.83 S1PR4 (0.49) MAPTALDH1A1MAPK1SMN1; SMN2S1PR4
SCHEMBL3150447 0.82 SIRT2 (0.52) MAPTALDH1A1TDP1MAPK1SMN1; SMN2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1747196-B1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS INC (US) 2010-02-10 EP claimed
US-7365068-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-04-29 US claimed
US-7767706-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
US-7767706-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
EP-1747196-B1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS INC (US) 2010-02-10 EP disclosed
US-20100029652-A1 Combination Therapy For Treating Hepatitis C Infections ACHILLION PHARMACEUTICALS, INC. (US) 2010-02-04 US disclosed
CN-101563076-A Combination therapy for treating hepatitis C infections ACHILLION PHARMACEUTICALS INC (US) 2009-10-21 CN disclosed
EP-2091524-A2 COMBINATION THERAPY FOR TREATING HEPATITIS C INFECTIONS Achillion Pharmaceuticals, Inc. (US) 2009-08-26 EP disclosed
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-01-22 US disclosed
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-01-22 US disclosed
WO-2008076443-A2 COMBINATION THERAPY FOR TREATING HEPATITIS C INFECTIONS ACHILLION PHARMACEUTICALS, INC. (US) 2008-06-26 WO disclosed
US-7365068-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-04-29 US disclosed
US-7365068-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-04-29 US disclosed
US-7365068-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-04-29 US disclosed
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-02-02 US disclosed
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-02-02 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-20100029652-A1 Combination Therapy For Treating Hepatitis C Infections HAVCR2, SLC10A1, CYP7A1 MAPT 3772/4885ALDH1A1 235/4885TDP1 4667/4885
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication PIGS, NAT1, AADAC MAPT 3157/4885ALDH1A1 176/4885TDP1 2612/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC MAPT 3157/4885ALDH1A1 176/4885TDP1 2612/4885

“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.