SCHEMBL12252467

SCHEMBL12252467

NCc1cc(C(=O)O)ccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.58
GABRD O14764 1/20 0.58
GABRA1 P14867 1/20 0.58
GABRB1 P18505 1/20 0.58
GABRG2 P18507 1/20 0.58
GABRB3 P28472 1/20 0.58
GABRA5 P31644 1/20 0.58
GABRA3 P34903 1/20 0.58
GABRA2 P47869 1/20 0.58
GABRB2 P47870 1/20 0.58
GABRA4 P48169 1/20 0.58
GABRE P78334 1/20 0.58
GABRA6 Q16445 1/20 0.58
GABRG1 Q8N1C3 1/20 0.58
GABRG3 Q99928 1/20 0.58
GABRQ Q9UN88 1/20 0.58
KDM5C P41229 7/20 0.55
KDM4C Q9H3R0 6/20 0.55
KDM6B O15054 5/20 0.55
KDM4A O75164 5/20 0.55

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
Hydrochloric Acid SCHEMBL1244313 0.98 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL509023 0.85 CYP1A2 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2305108 0.82 KDM4C (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7670706 0.82 KDM4C (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31191238 0.81 KDM4C (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30560163 0.81 KDM4C (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL845767 0.81 KDM4C (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1647272 0.81 CYP1A2 (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28331934 0.81 KDM4C (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4450004 0.79 KDM4E (0.55) KDM5CKDM4CKDM6BKDM4EKDM2A

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
EP-3023415-B1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES INC (US) 2017-12-06 EP disclosed
US-9024022-B2 Substrates of O6-alkylguanine-DNA alkyltransferase and mutants thereof CIS BIO INTERNATIONAL (FR) 2015-05-05 US disclosed
US-9024022-B2 Substrates of O6-alkylguanine-DNA alkyltransferase and mutants thereof CIS BIO INTERNATIONAL (FR) 2015-05-05 US disclosed
EP-2331510-B1 SUBSTRATES OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE (AGT) AND THEIR USE IN METHOD OF LABELLING ION BEAM APPLIC SA (BE) 2013-11-06 EP disclosed
US-20110236952-A1 NOVEL SUBSTRATES OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE AND MUTANTS THEREOF CIS BIO INTERNATIONAL (FR) 2011-09-29 US disclosed
US-20110236952-A1 NOVEL SUBSTRATES OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE AND MUTANTS THEREOF CIS BIO INTERNATIONAL (FR) 2011-09-29 US disclosed
WO-2010034931-A1 NOVEL SUBSTRATES OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE AND MUTANTS THEREOF CIS-BIO INTERNATIONAL (FR) 2010-04-01 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-20110236952-A1 NOVEL SUBSTRATES OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE AND MUTANTS THEREOF OGG1, UNG, MPG GABRP 4121/4885GABRD 4367/4885GABRA1 4369/4885

“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.