SCHEMBL7499718

SCHEMBL7499718

C=CCc1cccc(Cl)c1C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
ALDH1A1 P00352 4/20 0.42
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.39
PNMT P11086 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
ALOX12 P18054 1/20 0.36
AKR1B1 P15121 1/20 0.36
IDO1 P14902 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL22355711 0.85 GABRA1 (0.54) GABRA1GABRB2ALDH1A1MAPTGAA
SCHEMBL5530787 0.80 ALDH1A1 (0.42) ALDH1A1MAPTTDP1PNMTMEN1
SCHEMBL1733365 0.79 GABRA1 (0.48) GABRA1GABRB2ALDH1A1MAPTGAA
SCHEMBL170383 0.79 GABRA1 (0.48) GABRA1GABRB2ALDH1A1MAPTGAA
SCHEMBL248573 0.79 PNMT (0.56) GABRA1GABRB2ALDH1A1MAPTTDP1
SCHEMBL248417 0.79 IDO1 (0.50) GABRA1GABRB2ALDH1A1PNMTLMNA
SCHEMBL29473927 0.79 IDO1 (0.50) GABRA1GABRB2ALDH1A1PNMTLMNA
Hydrochloric Acid SCHEMBL28962287 0.78 GABRA1 (0.47) GABRA1GABRB2ALDH1A1MAPTGAA
SCHEMBL10664862 0.78 GABRA1 (0.47) GABRA1GABRB2ALDH1A1MAPTGAA
Ammonia Solution, Strong SCHEMBL8756176 0.78 GABRA1 (0.47) GABRA1GABRB2ALDH1A1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180222838-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2018-08-09 US disclosed
US-20180222838-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2018-08-09 US disclosed
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 US disclosed
EP-1181295-A2 TRICYCLIC BENZOYLCYCLOHEXANEDIONE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP disclosed
WO-2000073311-A2 TRICYCLIC BENZOYLCYCLOHEXANEDIONE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-12-07 WO disclosed
EP-0543238-B1 3-Isoxazolylphenyl-compounds, their preparation and application BASF AG (DE) 1997-06-04 EP disclosed
US-5256666-A Pesticides BASF AKTIENGESELLSCHAFT (DE) 1993-10-26 US disclosed
EP-0543238-A1 3-Isoxazolylphenyl-compounds, their preparation and application BASF Aktiengesellschaft (DE) 1993-05-26 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 (2 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-20130072471-A1 Inhibitors of Ion Channels TRPV1, TRPV5, TRPA1 GABRA1 399/4885GABRB2 285/4885ALDH1A1 3113/4885
US-20180222838-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, AADAT GABRA1 2617/4885GABRB2 2762/4885ALDH1A1 1561/4885

“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.