SCHEMBL5225657

SCHEMBL5225657

CC(C)C(=O)N(C)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.48
TRPV1 Q8NER1 1/20 0.47
POLQ O75417 1/20 0.46
LMNA P02545 1/20 0.43
MLYCD O95822 2/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 2/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
KCNA5 P22460 2/20 0.40
ALDH1A1 P00352 2/20 0.39
APP P05067 1/20 0.39
HCAR3 P49019 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
USP2 O75604 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
SCHEMBL13495764 0.84 NOTUM (0.44) NOTUMTRPV1POLQLMNAMLYCD
SCHEMBL8132461 0.81 HTT (0.43) LMNACYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL3576501 0.80 NOTUM (0.51) NOTUMTRPV1POLQMLYCDCYP3A4
SCHEMBL965251 0.80 NOTUM (0.51) NOTUMTRPV1POLQMLYCDHTT
SCHEMBL27704256 0.79 NOTUM (0.48) NOTUMTRPV1POLQLMNACYP3A4
SCHEMBL16295458 0.79 NOTUM (0.50) NOTUMTRPV1POLQMLYCDHTT
Hydrochloric Acid SCHEMBL5349528 0.79 NOTUM (0.50) NOTUMTRPV1POLQMLYCDCYP3A4
SCHEMBL1577273 0.79 NOTUM (0.50) NOTUMTRPV1POLQMLYCDHTT
SCHEMBL427122 0.79 NOTUM (0.50) NOTUMTRPV1POLQLMNAMLYCD
SCHEMBL9016336 0.79 NOTUM (0.50) NOTUMTRPV1POLQMLYCDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 US disclosed
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 US disclosed
WO-2023098825-A1 SOS1 INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 勤浩医药(苏州)有限公司 2023-06-08 WO disclosed
EP-1776117-A1 DUAL NK1/NK3 ANTAGONISTS AGAINST SCHIZOPHRENIA F.HOFFMANN-LA ROCHE AG (CH) 2007-04-25 EP disclosed
WO-2006013050-A1 DUAL NK1/NK3 ANTAGONISTS AGAINST SCHIZOPHRENIA F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 WO 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-20230348369-A1 NAMPT MODULATORS NAMPT, NNT, NAPRT NOTUM 3517/4885TRPV1 973/4885POLQ 4011/4885

“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.