SCHEMBL3156159

SCHEMBL3156159

[CH2]COCc1cccc(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.62
▸ AGXT P21549 2/20 0.62
▸ MAOB P27338 7/20 0.54
▸ TAAR1 Q96RJ0 3/20 0.53
▸ CHRM2 P08172 1/20 0.50
▸ CHRM1 P11229 1/20 0.50
▸ CHRM3 P20309 1/20 0.50
▸ ABCB1 P08183 1/20 0.49
▸ HTR1A P08908 1/20 0.49
▸ DRD2 P14416 1/20 0.49
▸ CMA1 P23946 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.47
▸ AOC3 Q16853 1/20 0.47

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
SCHEMBL3768643 0.88 IDO1 (0.71) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL2091873 0.87 IDO1 (0.61) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL12093572 0.83 IDO1 (0.65) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL3160821 0.82 TP53 (0.49) IDO1AGXTMAOBCHRM2CHRM1
SCHEMBL6205292 0.81 IDO1 (0.62) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL28382952 0.81 IDO1 (0.68) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL11021612 0.81 IDO1 (0.62) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL6205291 0.81 IDO1 (0.62) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL1144902 0.81 IDO1 (0.67) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL5315445 0.81 TAAR1 (0.67) IDO1AGXTMAOBTAAR1CHRM2

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-20020103381-A1 Method for the synthesis of pyrazolines CHEMRX ADVANCED TECHNOLOGIES, INC. 2002-08-01 — — US claimed
WO-2001040193-A1 METHOD FOR THE SYNTHESIS OF PYRAZOLINES CHEMRX ADVANCED TECHNOLOGIES, INC. (US) 2001-06-07 — — WO claimed
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-01 — — US disclosed
EP-2061789-A2 THIADIAZOLE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2009-05-27 — — EP disclosed
WO-2008032858-A2 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-20 — — WO disclosed
US-20020103381-A1 Method for the synthesis of pyrazolines CHEMRX ADVANCED TECHNOLOGIES, INC. 2002-08-01 — — US disclosed
WO-2001040193-A1 METHOD FOR THE SYNTHESIS OF PYRAZOLINES CHEMRX ADVANCED TECHNOLOGIES, INC. (US) 2001-06-07 — — 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 (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-20020103381-A1 Method for the synthesis of pyrazolines CYP2F1, CYP2E1, CYP3A7 IDO1 859/4885AGXT 1400/4885MAOB 249/4885
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF NR2C2, NR4A3, NR0B2 IDO1 1716/4885AGXT 3155/4885MAOB 1907/4885

“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.

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