SCHEMBL2869724

SCHEMBL2869724

CN(C)Cc1ncccc1C(=O)NC(=S)Nc1cccc(Oc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.48
MAPT P10636 7/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 10/20 0.46
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.46
ALOX12 P18054 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 3/20 0.45
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 2/20 0.44
EPHX1 P07099 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL2866075 0.90 MEN1 (0.56) MAPTALDH1A1RAB9ANPC1ALOX12
SCHEMBL2868365 0.85 KDR (0.48) KDRMAPTALDH1A1RAB9ANPC1
SCHEMBL14096264 0.84 KDR (0.51) KDRMAPTALDH1A1RAB9ANPC1
SCHEMBL2866106 0.83 EPHX1 (0.47) KDRMAPTALDH1A1RAB9ANPC1
SCHEMBL2860279 0.83 KDR (0.52) KDRMAPTMAPK1ALDH1A1RAB9A
SCHEMBL28766428 0.82 MAPT (0.47) KDRMAPTMAPK1ALDH1A1RAB9A
SCHEMBL2865777 0.82 HTT (0.55) KDRMAPTMAPK1ALDH1A1RAB9A
SCHEMBL2865292 0.81 HPGD (0.50) KDRMAPTMAPK1ALDH1A1RAB9A
SCHEMBL2865429 0.80 ALDH1A1 (0.47) KDRMAPTMAPK1ALDH1A1RAB9A
SCHEMBL14096007 0.80 ALDH1A1 (0.53) KDRMAPTALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-01-22 US claimed
CN-101087755-A Substituted arylacylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS INC (US) 2007-12-12 CN claimed
EP-1747196-A2 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION Achillion Pharmaceuticals, Inc. (US) 2007-01-31 EP claimed
WO-2006083271-A2 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2006-08-10 WO claimed
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-02-02 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-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-01-22 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 (2 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-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication PIGS, NAT1, AADAC KDR 4417/4885MAPT 3157/4885MAPK1 3135/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC KDR 4417/4885MAPT 3157/4885MAPK1 3135/4885

“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.