SCHEMBL18285397

SCHEMBL18285397

CCc1nc2cc(Br)ccc2c(O)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
FABP5 Q01469 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 1/20 0.44
RXFP1 Q9HBX9 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PRNP P04156 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
DHODH Q02127 4/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
PPARG P37231 2/20 0.41
NR2E3 Q9Y5X4 2/20 0.41
NCOR2 Q9Y618 2/20 0.41
AURKA O14965 2/20 0.41
AURKB Q96GD4 2/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL18285435 0.85 FABP3 (0.52) FABP3FABP4FABP5ALDH1A1HTT
SCHEMBL28983359 0.84 DHODH (0.51) FABP3FABP4FABP5ALDH1A1MEN1
SCHEMBL15487148 0.82 DHODH (0.56) FABP3FABP4FABP5ALDH1A1HTT
SCHEMBL2725020 0.81 ALDH1A1 (0.61) FABP3FABP4ALDH1A1HTTRXFP1
SCHEMBL18285425 0.81 DHODH (0.46) FABP3FABP4FABP5ALDH1A1MEN1
SCHEMBL4992903 0.81 FABP3 (0.52) FABP3FABP4FABP5ALDH1A1MEN1
SCHEMBL28225978 0.78 RXFP1 (0.42) FABP3FABP4FABP5ALDH1A1HTT
SCHEMBL10322427 0.78 RXFP1 (0.55) FABP3FABP4FABP5ALDH1A1HTT
SCHEMBL4471456 0.77 FABP3 (0.55) FABP3FABP4FABP5ALDH1A1MEN1
SCHEMBL18285444 0.76 FABP4 (0.68) FABP3FABP4FABP5ALDH1A1MEN1

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
US-11427582-B2 Ligands selective to alpha 6 subunit-containing GABAA receptors and their methods of use UWM RESEARCH FOUNDATION, INC. (US) 2022-08-30 US disclosed
US-20210047322-A1 LIGANDS SELECTIVE TO ALPHA 6 SUBUNIT-CONTAINING GABAA RECEPTORS AND THEIR METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-02-18 US disclosed
US-10865203-B2 Ligands selective to alpha 6 subunit-containing GABAA receptors and their methods of use UWM RESEARCH FOUNDATION, INC. (US) 2020-12-15 US disclosed
EP-3325479-B1 LIGANDS SELECTIVE TO ALPHA 6 SUBUNIT-CONTAINING GABAA RECEPTORS AND THEIR METHODS OF USE UWM RES FOUNDATION INC (US) 2020-12-02 EP disclosed
EP-3325479-A1 LIGANDS SELECTIVE TO ALPHA 6 SUBUNIT-CONTAINING GABAa RECEPTORS ANS THEIR METHODS OF USE UWM Research Foundation, Inc. (US) 2018-05-30 EP disclosed
US-20180134698-A1 LIGANDS SELECTIVE TO ALPHA 6 SUBUNIT-CONTAINING GABAA RECEPTORS AND THEIR METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-05-17 US disclosed
WO-2016196961-A1 LIGANDS SELECTIVE TO ALPHA 6 SUBUNIT-CONTAINING GABAA RECEPTORS ANS THEIR METHODS OF USE UWM RESEARCH FOUNDATION, INC. (US) 2016-12-08 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 (4 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-20210047322-A1 LIGANDS SELECTIVE TO ALPHA 6 SUBUNIT-CONTAINING GABAA RECEPTORS AND THEIR METHODS OF USE GABRA6, HTR6, GABRD FABP3 537/4885FABP4 1209/4885FABP5 611/4885
US-20180134698-A1 LIGANDS SELECTIVE TO ALPHA 6 SUBUNIT-CONTAINING GABAA RECEPTORS AND THEIR METHODS OF USE GABRA6, HTR6, GABRD FABP3 427/4885FABP4 924/4885FABP5 495/4885
US-11427582-B2 Ligands selective to alpha 6 subunit-containing GABAA receptors and their methods of use GABRA6, HTR6, GABRD FABP3 537/4885FABP4 1209/4885FABP5 611/4885
US-10865203-B2 Ligands selective to alpha 6 subunit-containing GABAA receptors and their methods of use GABRA6, HTR6, GABRD FABP3 427/4885FABP4 924/4885FABP5 495/4885

“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.