SCHEMBL2210039

SCHEMBL2210039

NC(F)Cc1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 2/20 0.56
TAAR1 Q96RJ0 4/20 0.53
IDO1 P14902 2/20 0.52
AGXT P21549 2/20 0.52
MAOB P27338 4/20 0.43
MIF P14174 1/20 0.43
ROCK1 Q13464 1/20 0.43
DPP4 P27487 1/20 0.43
DPP7 Q9UHL4 1/20 0.43

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 SCHEMBL2211425 0.98 SLC1A1 (0.54) SLC1A1TAAR1IDO1AGXTMAOB
SCHEMBL29410132 0.83 PNMT (0.60) SLC1A1TAAR1IDO1AGXT
SCHEMBL14478266 0.83 PNMT (0.60) SLC1A1TAAR1IDO1AGXT
SCHEMBL2561950 0.83 PNMT (0.60) SLC1A1TAAR1IDO1AGXT
SCHEMBL1530031 0.83 PNMT (0.60) SLC1A1TAAR1IDO1AGXT
SCHEMBL23886297 0.83 TAAR1 (0.52) SLC1A1TAAR1IDO1AGXTMAOB
SCHEMBL12706104 0.82 SLC1A1 (0.51) SLC1A1TAAR1IDO1AGXT
Hydrochloric Acid SCHEMBL6819301 0.82 PNMT (0.58) SLC1A1TAAR1IDO1AGXT
SCHEMBL3282231 0.81 SLC1A1 (0.54) SLC1A1TAAR1IDO1AGXT
SCHEMBL7458228 0.80 TAAR1 (0.55) SLC1A1TAAR1IDO1AGXTMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5908960-A Compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-06-01 US claimed
WO-2025089147-A1 HERBICIDAL COMPOSITION 株式会社エス・ディー・エス バイオテック 2025-05-01 WO disclosed
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
EP-2121642-B1 4-HYDR0XY-2-0X0-2, 3 -DIHYDRO- 1, 3-BENZOTHIAZOL- 7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2011-07-27 EP disclosed
US-20100249200-A1 Novel Compounds 569 ASTRAZENECA AB (SE) 2010-09-30 US disclosed
US-7700782-B2 Compounds 569 ASTRAZENECA AB (SE) 2010-04-20 US disclosed
US-20100022491-A1 4-HYDROXY-2-OXO-2,3-DIHYDRO-1,3-BENZOTHIAZOL-7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2010-01-28 US disclosed
EP-2121642-A1 4-HYDR0XY-2-0X0-2, 3 -DIHYDRO- 1, 3-BENZOTHIAZOL- 7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY AstraZeneca AB (SE) 2009-11-25 EP disclosed
US-20080207698-A1 Novel Compounds 569 ASTRAZENECA AB (SE) 2008-08-28 US disclosed
WO-2008075026-A1 4-HYDR0XY-2-0X0-2, 3 -DIHYDRO- 1, 3-BENZOTHIAZOL- 7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
US-5908960-A Compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-06-01 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-20080207698-A1 Novel Compounds 569 RB1, CNKSR1, CDK9 SLC1A1 4691/4885TAAR1 1241/4885IDO1 3475/4885
US-20100022491-A1 4-HYDROXY-2-OXO-2,3-DIHYDRO-1,3-BENZOTHIAZOL-7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY ADRB2, ADRB1, ADRA2C SLC1A1 1657/4885TAAR1 96/4885IDO1 4179/4885
US-20100249200-A1 Novel Compounds 569 RB1, CNKSR1, CDK9 SLC1A1 4691/4885TAAR1 1241/4885IDO1 3475/4885

“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.