SCHEMBL7242129

SCHEMBL7242129

NC(=NO)c1c(F)cccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.44
GAA P10253 7/20 0.44
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42
ALDH1A1 P00352 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
BACE1 P56817 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
LMNA P02545 1/20 0.38
PKM P14618 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
SCHEMBL642255 0.86 CES2 (0.46) GAAITGB2ICAM1ITGALKMT2A
SCHEMBL102502 0.86 ALDH1A1 (0.50) PBRM1GAAALDH1A1TAAR1KMT2A
SCHEMBL102501 0.86 ALDH1A1 (0.50) PBRM1GAAALDH1A1TAAR1KMT2A
SCHEMBL642256 0.86 CES2 (0.46) GAAITGB2ICAM1ITGALKMT2A
SCHEMBL8378366 0.78 CES2 (0.40) GAAITGB2ICAM1ITGALALDH1A1
SCHEMBL11911197 0.78 ALDH1A1 (0.48) PBRM1GAAALDH1A1JAK2JAK1
SCHEMBL29387927 0.78 ALDH1A1 (0.48) PBRM1GAAALDH1A1JAK2JAK1
SCHEMBL11893724 0.78 ALDH1A1 (0.48) PBRM1GAAALDH1A1JAK2JAK1
SCHEMBL8381824 0.78 ALDH1A1 (0.43) PBRM1GAAALDH1A1JAK1TAAR1
SCHEMBL5772875 0.78 ALDH1A1 (0.48) PBRM1GAAALDH1A1JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030078437-A1 Novel benzamidoxime derivatives, intermediates and process for their preparation, and their use as fungicides EICKEN KARL (DE) 2003-04-24 US disclosed
US-6417398-B1 Benzamidoxim derivatives, intermediate products and methods for preparing them, and their use as fungicides BASF AKTIENGESELLSCHAFT (DE) 2002-07-09 US disclosed
EP-1017671-A1 NOVEL BENZAMIDOXIM DERIVATIVES, INTERMEDIATE PRODUCTS AND METHODS FOR PREPARING THEM, AND THEIR USE AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-07-12 EP disclosed
WO-1999014188-A1 NOVEL BENZAMIDOXIM DERIVATIVES, INTERMEDIATE PRODUCTS AND METHODS FOR PREPARING THEM, AND THEIR USE AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-03-25 WO disclosed
US-4845095-A ANALGESICS, NEUROLEPTICS A/S FERROSAN (DK) 1989-07-04 US disclosed
EP-0285032-A1 4-Phenylpiperidine compounds and their preparation and use A/S FERROSAN (DK) 1988-10-05 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 (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-20030078437-A1 Novel benzamidoxime derivatives, intermediates and process for their preparation, and their use as fungicides CBR1, CYP1B1, CYP2E1 PBRM1 154/4885GAA 3271/4885ITGB2 2189/4885

“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.