SCHEMBL10988751

SCHEMBL10988751

CCc1ccc(C(=O)O)c(C)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 4/20 0.47
GABRD O14764 4/20 0.47
GABRA1 P14867 4/20 0.47
GABRB1 P18505 4/20 0.47
GABRG2 P18507 4/20 0.47
GABRB3 P28472 4/20 0.47
GABRA5 P31644 4/20 0.47
GABRA3 P34903 4/20 0.47
GABRA2 P47869 4/20 0.47
GABRB2 P47870 4/20 0.47
GABRA4 P48169 4/20 0.47
GABRE P78334 4/20 0.47
GABRA6 Q16445 4/20 0.47
GABRG1 Q8N1C3 4/20 0.47
GABRG3 Q99928 4/20 0.47
GABRQ Q9UN88 4/20 0.47
KDM4E B2RXH2 5/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL20153353 0.85 PTGS1 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28204616 0.85 GABRP (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2925692 0.84 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20594388 0.82 KDM4E (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5136122 0.82 KAT8 (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3297206 0.82 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31494238 0.81 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2921220 0.81 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7538102 0.81 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6859142 0.80 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113248481-B EZH2 covalent irreversible inhibitor, preparation method and application thereof 中山大学 2023-03-24 CN disclosed
CN-113248481-A EZH2 covalent irreversible inhibitor, preparation method and application thereof 中山大学 2021-08-13 CN disclosed
US-8987461-B2 Histone demethylase inhibitors Quanticel Pharmaceuticals, Inc. (US) 2015-03-24 US disclosed
US-20140194469-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-07-10 US disclosed
US-4493843-A Indole and indoline carboxylic acid compounds and method of use MAY & BAKER LIMITED (GB) 1985-01-15 US disclosed
EP-0042298-B1 INDOLE AND INDOLINE DERIVATIVES MAY & BAKER LIMITED (GB) 1984-09-12 EP disclosed
EP-0042298-A1 Indole and indoline derivatives MAY & BAKER LIMITED (GB) 1981-12-23 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-20140194469-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM5A, KDM1A GABRP 2184/4885GABRD 2312/4885GABRA1 2195/4885

“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.