SCHEMBL5222382

SCHEMBL5222382

Cc1ccc(NC(=O)Nc2nc(CN(C)CC(C)C)cs2)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 3/20 0.46
MAPT P10636 6/20 0.46
LMNA P02545 3/20 0.46
KCNJ6 P48051 1/20 0.44
KCNJ5 P48544 1/20 0.44
KCNJ3 P48549 1/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
BLM P54132 1/20 0.44
EPHX2 P34913 1/20 0.43
NTRK1 P04629 2/20 0.43
NTRK2 Q16620 2/20 0.43
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
HTT P42858 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
SCHEMBL5219188 0.92 MAPT (0.45) SMN1; SMN2RAB9ANPC1MAPTLMNA
SCHEMBL5217930 0.88 KCNJ6 (0.48) SMN1; SMN2RAB9ANPC1MAPTLMNA
SCHEMBL5221062 0.88 MAPT (0.51) SMN1; SMN2RAB9ANPC1MAPTLMNA
SCHEMBL5218460 0.86 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPC1MAPTLMNA
SCHEMBL5216227 0.85 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPC1MAPTLMNA
SCHEMBL5218065 0.85 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPC1MAPTLMNA
SCHEMBL5216358 0.85 MAPT (0.47) SMN1; SMN2RAB9ANPC1MAPTLMNA
SCHEMBL5215588 0.84 MAPT (0.52) SMN1; SMN2RAB9ANPC1MAPTLMNA
SCHEMBL5216917 0.82 MAPT (0.49) SMN1; SMN2RAB9ANPC1MAPTLMNA
Trifluoroacetic Acid SCHEMBL5223043 0.81 MAPT (0.43) SMN1; SMN2RAB9ANPC1MAPTLMNA

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
EP-1809380-A2 INHIBITORS OF HIV-1 CAPSID FORMATION: SUBSTITUTED ARYL AMINOMETHYL THIAZOLE UREAS AND ANALOGUES THEREOF Achillion Pharmaceuticals, Inc. (US) 2007-07-25 EP claimed
US-7183300-B2 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof UNIVERSITY OF MARYLAND BALTIMORE COUNTY 2007-02-27 US claimed
WO-2006053323-A2 INHIBITORS OF HIV-1 CAPSID FORMATION: SUBSTITUTED ARYL AMINOMETHYL THIAZOLE UREAS AND ANALOGUES THEREOF ACHILLION PHARMACEUTICALS, INC. (US) 2006-05-18 WO claimed
US-20060100232-A1 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof ACHILLION PHARMACEUTICAL, INC. 2006-05-11 US claimed
US-7183300-B2 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof UNIVERSITY OF MARYLAND BALTIMORE COUNTY 2007-02-27 US disclosed
US-7183300-B2 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof UNIVERSITY OF MARYLAND BALTIMORE COUNTY 2007-02-27 US disclosed
US-7183300-B2 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof UNIVERSITY OF MARYLAND BALTIMORE COUNTY 2007-02-27 US disclosed
US-20060100232-A1 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof ACHILLION PHARMACEUTICAL, INC. 2006-05-11 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 (1 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-20060100232-A1 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof ZC3HAV1, CD4, ACIN1 SMN1; SMN2 3606/4885RAB9A 567/4885NPC1 1868/4885

“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.