SCHEMBL2863647

SCHEMBL2863647

CCCCCOc1ccc(NC(=S)NC(=O)c2cccnc2C#N)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 2/20 0.42
PNLIP P16233 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.41
POLB P06746 1/20 0.41
S1PR1 P21453 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL2868509 0.90 S1PR4 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL2860251 0.87 S1PR1 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL2865313 0.85 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPTMAPK1NPC1
SCHEMBL2856925 0.80 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPTMAPK1NPC1
SCHEMBL3142177 0.80 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL2867917 0.80 S1PR1 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL2869907 0.79 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL2869992 0.78 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPK1
SCHEMBL14096261 0.76 S1PR4 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL2869211 0.76 S1PR4 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 176/4885SMN1; SMN2 3029/4885MEN1 4268/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC ALDH1A1 176/4885SMN1; SMN2 3029/4885MEN1 4268/4885

“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.