SCHEMBL2869907

SCHEMBL2869907

CCCCCc1ccc(NC(=S)NC(=O)c2cccnc2C#N)cn1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
TRPV1 Q8NER1 4/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL2865313 0.83 ALDH1A1 (0.52) ALDH1A1MAPK1KDM4EHTTNPC1
SCHEMBL2868509 0.79 S1PR4 (0.44) ALDH1A1MAPK1KDM4EHTTSMN1; SMN2
SCHEMBL2863647 0.79 ALDH1A1 (0.47) ALDH1A1MAPK1HTTNPC1RAB9A
SCHEMBL3145407 0.78 ALDH1A1 (0.46) ALDH1A1MAPK1KDM4EHTTNPC1
SCHEMBL2860251 0.77 S1PR1 (0.49) ALDH1A1MAPK1KDM4EHTTRAB9A
SCHEMBL2859078 0.74 ALDH1A1 (0.51) ALDH1A1MAPK1HTTNPC1RAB9A
SCHEMBL2869089 0.73 NPC1 (0.48) ALDH1A1MAPK1KDM4EHTTNPC1
SCHEMBL2864142 0.71 KDR (0.48) ALDH1A1KDM4EHTTNPC1RAB9A
SCHEMBL2869478 0.71 SIRT2 (0.53) ALDH1A1MAPK1HTTSMN1; SMN2KMT2A
SCHEMBL2869502 0.70 MEN1 (0.61) ALDH1A1KDM4EHTTNPC1RAB9A

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 ALDH1A1 176/4885MAPK1 3135/4885KDM4E 1736/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC ALDH1A1 176/4885MAPK1 3135/4885KDM4E 1736/4885

“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.