SCHEMBL14768512

SCHEMBL14768512

CC(C)C(=O)N(C)C(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MTOR P42345 1/20 0.46
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
GAA P10253 1/20 0.44
ALOX5 P09917 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.41
APAF1 O14727 1/20 0.41
PTGIR P43119 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL9515116 0.85 MEN1 (0.50) MEN1KMT2AMTORALDH1A1POLB
SCHEMBL19481465 0.84 MTOR (0.59) MEN1KMT2AMTORALDH1A1POLB
SCHEMBL14768578 0.84 MTOR (0.59) MEN1KMT2AMTORALDH1A1POLB
SCHEMBL12783364 0.84 MTOR (0.59) MEN1KMT2AMTORALDH1A1POLB
SCHEMBL14368075 0.79 GAA (0.64) ALDH1A1GAAKDM4ELMNA
SCHEMBL14338232 0.79 GAA (0.64) ALDH1A1GAAKDM4ELMNA
SCHEMBL14338233 0.79 GAA (0.64) ALDH1A1GAAKDM4ELMNA
SCHEMBL14197120 0.79 GAA (0.64) ALDH1A1GAAKDM4ELMNA
SCHEMBL16168058 0.79 MEN1 (0.56) MEN1KMT2AMTORALDH1A1POLB
SCHEMBL24316284 0.78 MEN1 (0.46) MEN1KMT2AMTORGAAAPAF1

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
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
US-20230255965-A1 TRPV4 INHIBITOR AS A THERAPEUTIC AGENT FOR OCULAR DISEASES RAQUALIA PHARMA INC. (JP) 2023-08-17 US disclosed
US-20230255965-A1 TRPV4 INHIBITOR AS A THERAPEUTIC AGENT FOR OCULAR DISEASES RAQUALIA PHARMA INC. (JP) 2023-08-17 US disclosed
US-8859812-B2 Compound reagents and method for synthesizing enantiomerically enriched amino acids PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-10-14 US disclosed
US-20130066109-A1 COMPOUNDS AND RELATED METHODS OF USE PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2013-03-14 US disclosed
US-20130066109-A1 COMPOUNDS AND RELATED METHODS OF USE PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2013-03-14 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 (3 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-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS TRPV4, TRPV1, TRPV2 MEN1 3786/4885KMT2A 4196/4885MTOR 2196/4885
US-20230255965-A1 TRPV4 INHIBITOR AS A THERAPEUTIC AGENT FOR OCULAR DISEASES TRPV4, TRPV5, TRPV2 MEN1 3443/4885KMT2A 2654/4885MTOR 949/4885
US-20130066109-A1 COMPOUNDS AND RELATED METHODS OF USE BCAT2, BCAT1, AADAT MEN1 404/4885KMT2A 3292/4885MTOR 1529/4885

“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.