SCHEMBL6493580

SCHEMBL6493580

COc1ccc(-c2cc3cc(F)c(F)cc3[nH]2)cc1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.45
PARP1 P09874 5/20 0.44
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
CDC7 O00311 2/20 0.38
F10 P00742 1/20 0.38
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38
KLKB1 P03952 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
F7 P08709 1/20 0.38
PRSS3 P35030 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
ACVR1 Q04771 1/20 0.38

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
SCHEMBL6286918 0.81 PARP1 (0.47) JAK2PARP1CDC7ACVR1
SCHEMBL6493592 0.81 CYP1A1 (0.51)
Hydrochloric Acid SCHEMBL6496441 0.80 CYP1A1 (0.50)
SCHEMBL6282531 0.79 IKBKB (0.47) JAK2PARP1CDC7ACVR1
SCHEMBL6286151 0.79 IKBKB (0.47) JAK2PARP1CDC7ACVR1
SCHEMBL7111221 0.78 CYP1A1 (0.39) F10PLAUPLATKLKB1PRSS1
SCHEMBL7073827 0.77 MAPT (0.41) LMNA
Hydrochloric Acid SCHEMBL7073825 0.76 MAPT (0.41) LMNA
SCHEMBL6286700 0.74 RIPK1 (0.65)
SCHEMBL6287771 0.74 PARP1 (0.47) JAK2PARP1CDC7

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-20050165019-A1 Propenecarboxylic acid amidoxime derivatives, a process for the preparation thereof, and pharmaceutical compositions containing the same N-GENE RESEARCH LABORATORIES INC. 2005-07-28 US claimed
US-6858739-B2 Indole and benzimidazole 15-lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 2005-02-22 US claimed
US-20040038943-A1 Indole and benzimidazole 15-lipoxygenase inhibitors CONNOR DAVID THOMAS (US) 2004-02-26 US claimed
EP-1294686-A2 INDOLE DERIVATIVES AND THEIR USE AS 15-LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2003-03-26 EP claimed
WO-2001096299-A2 INDOLE DERIVATIVES AND THEIR USE AS 15-LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-12-20 WO claimed
US-6858739-B2 Indole and benzimidazole 15-lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 2005-02-22 US disclosed
US-20040038943-A1 Indole and benzimidazole 15-lipoxygenase inhibitors CONNOR DAVID THOMAS (US) 2004-02-26 US disclosed
EP-1294686-A2 INDOLE DERIVATIVES AND THEIR USE AS 15-LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2003-03-26 EP disclosed
WO-2001096299-A2 INDOLE DERIVATIVES AND THEIR USE AS 15-LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-12-20 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-20040038943-A1 Indole and benzimidazole 15-lipoxygenase inhibitors ALOX15, ALOX5, ALOX12 JAK2 1865/4885PARP1 2025/4885JAK1 2584/4885
US-20050165019-A1 Propenecarboxylic acid amidoxime derivatives, a process for the preparation thereof, and pharmaceutical compositions containing the same PARP1, PARP2, PARP3 JAK2 1723/4885PARP1 1/4885JAK1 1960/4885

“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.