SCHEMBL7074719

SCHEMBL7074719

NCc1ccc2c(c1)OOC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
ROCK2 O75116 3/20 0.33
ROCK1 Q13464 3/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
LOXL2 Q9Y4K0 2/20 0.32
AKT1 P31749 1/20 0.32
RPS6KA1 Q15418 1/20 0.32
CYP2A6 P11509 1/20 0.32
PNMT P11086 1/20 0.31

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
SCHEMBL3047306 0.85 TAAR1 (0.34) TAAR1HRH3CA12CA1CA2
SCHEMBL1486243 0.81 CMA1 (0.32) TAAR1
SCHEMBL9669770 0.81 CYP1A2 (0.30)
SCHEMBL6853638 0.81 CA12 (0.33) CA12CA2CA3CA4CA6
SCHEMBL6203463 0.80 IDO1 (0.42)
SCHEMBL6979656 0.78 TAAR1 (0.33) TAAR1
SCHEMBL9752268 0.78 TDP1 (0.33) TAAR1
SCHEMBL1316541 0.78 TAAR1 (0.55) TAAR1PNMT
SCHEMBL7317921 0.77 LOXL2 (0.35) LOXL2NCF1
SCHEMBL3861727 0.77

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-20030105073-A1 Quinolone derivatives CELLTECH R&D LIMITED (GB) 2003-06-05 US disclosed
WO-2003035066-A1 2-AMINOQUINOLONE DERIVATIVES FOR USE AS IMPDH INHIBITORS CELLTECH R & D LIMITED (GB) 2003-05-01 WO disclosed
EP-0686625-B1 ANTHRANILIC ACID DERIVATIVE EISAI CO LTD (JP) 1999-05-26 EP disclosed
US-5371247-A Preparation of substituted ethenes FINE ORGANICS LIMITED (GB) 1994-12-06 US disclosed
EP-0466733-B1 PREPARATION OF SUBSTITUTED ETHENES FINE ORGANICS LTD (GB) 1994-08-17 EP disclosed
EP-0466733-A1 PREPARATION OF SUBSTITUTED ETHENES. FINE ORGANICS LTD (GB) 1992-01-22 EP disclosed
WO-1990012002-A1 PREPARATION OF SUBSTITUTED ETHENES FINE ORGANICS LIMITED (GB) 1990-10-18 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-20030105073-A1 Quinolone derivatives IFNAR1, CBR1, IMPDH1 TAAR1 1402/4885HRH3 259/4885ROCK2 2933/4885

“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.