SCHEMBL2864142

SCHEMBL2864142

N#Cc1ncccc1C(=O)NC(=S)Nc1cccc(Oc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.48
EPHX1 P07099 1/20 0.46
ALDH1A1 P00352 12/20 0.46
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
ALOX12 P18054 6/20 0.46
MAPT P10636 6/20 0.46
NPC1 O15118 4/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
LMNA P02545 5/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 2/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL2869502 0.88 MEN1 (0.61) ALDH1A1RAB9ASMN1; SMN2ALOX12MAPT
SCHEMBL2860279 0.85 KDR (0.52) KDREPHX1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL14096264 0.84 KDR (0.51) KDREPHX1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2865777 0.84 HTT (0.55) KDREPHX1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL14096007 0.82 ALDH1A1 (0.53) KDREPHX1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2868365 0.82 KDR (0.48) KDREPHX1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2865540 0.81 KMT2A (0.65) KDREPHX1ALDH1A1MEN1KMT2A
SCHEMBL2866106 0.80 EPHX1 (0.47) KDREPHX1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2861364 0.79 MEN1 (0.54) KDRALDH1A1MAPTMEN1KMT2A
SCHEMBL2869724 0.79 KDR (0.48) KDREPHX1ALDH1A1RAB9ASMN1; 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 7 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
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 4417/4885EPHX1 1956/4885ALDH1A1 176/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC KDR 4417/4885EPHX1 1956/4885ALDH1A1 176/4885

“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.