SCHEMBL14096331

SCHEMBL14096331

COc1ccc(NC(=S)NC(=O)c2ccccc2Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 1.00
RAB9A P51151 5/20 1.00
SMN1; SMN2 Q16637 5/20 0.71
NPC1 O15118 3/20 0.71
GAA P10253 2/20 0.71
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
CA9 Q16790 1/20 0.64
KIT P10721 1/20 0.62
PDGFRA P16234 1/20 0.62
MAPT P10636 3/20 0.62
ALOX12 P18054 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
KMT2A Q03164 2/20 0.60
HPGD P15428 1/20 0.60
HTT P42858 1/20 0.58
CDK2 P24941 2/20 0.57
CDK1 P06493 1/20 0.57
CDK4 P11802 1/20 0.57
CDK7 P50613 1/20 0.57

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
SCHEMBL13454714 0.89 ALDH1A1 (0.79) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL10390737 0.86 RAB9A (0.76) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL6300537 0.86 RAB9A (0.75) ALDH1A1RAB9ANPC1GAAMAPT
SCHEMBL14096549 0.85 RAB9A (0.74) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL14096418 0.85 ALDH1A1 (0.81) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL11316756 0.84 TDP1 (0.78) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL14096398 0.83 RAB9A (0.70) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL5444566 0.82 ALDH1A1 (0.69) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
Hydrochloric Acid SCHEMBL3724619 0.81 ALDH1A1 (0.75) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL14096442 0.81 EPHX1 (0.76) ALDH1A1RAB9ASMN1; SMN2NPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 US disclosed
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 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-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 ALDH1A1 2930/4885RAB9A 3144/4885SMN1; SMN2 4344/4885

“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.