SCHEMBL4099272

SCHEMBL4099272

CC(C)(C(=O)NNC(=O)C1CC1)c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 4/20 0.42
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
RECQL P46063 2/20 0.40
NPY5R Q15761 4/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
GAA P10253 2/20 0.39
CHRM3 P20309 3/20 0.39
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
HPGD P15428 3/20 0.39
PKM P14618 1/20 0.38
GLA P06280 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
SCHEMBL4094266 0.78 RAB9A (0.47) POLBKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL2986833 0.73 HDAC1 (0.39) POLBKMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL4094548 0.70 KDM4E (0.42) KMT2ASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL2019847 0.69 EPHX2 (0.43) KMT2ACHRM3CHRM2CHRM1
SCHEMBL1492740 0.69 DAO (0.43) POLBKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL2654268 0.68 ALDH1A1 (0.41) POLBSMN1; SMN2RAB9AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL9402263 0.68 DAO (0.42) POLBKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL9235584 0.68 CNR1 (0.40) POLBKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL5758336 0.68 MAPT (0.48) POLBKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL6675248 0.66 DAO (0.41) KMT2ASMN1; SMN2ALDH1A1GAACHRM3

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-20090082367-A1 TRIAZOLE DERIVATIVE OR A SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-03-26 US disclosed
EP-1995243-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 EP 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-20090082367-A1 TRIAZOLE DERIVATIVE OR A SALT THEREOF HSD11B1, HSD11B2, HSD17B1 POLB 2629/4885KMT2A 1938/4885SMN1; SMN2 3838/4885

“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.