SCHEMBL7541526

SCHEMBL7541526

COc1ccc(Sc2ccc(F)c([N+](=O)[O-])c2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
HIF1A Q16665 1/20 0.45
GAA P10253 3/20 0.43
VCAM1 P19320 1/20 0.43
PKM P14618 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HSPB1 P04792 2/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
RAB9A P51151 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 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
SCHEMBL30768290 0.89 ALDH1A1 (0.45) ALDH1A1GAATDP1MAPTKMT2A
SCHEMBL24749612 0.89 ALDH1A1 (0.45) ALDH1A1GAATDP1MAPTKMT2A
SCHEMBL9198678 0.84 ALDH1A1 (0.60) ALDH1A1HIF1AGAAVCAM1TDP1
SCHEMBL7540492 0.77 VCAM1 (0.71) ALDH1A1HIF1AGAAVCAM1PKM
SCHEMBL7571419 0.77 ALDH1A1 (0.55) ALDH1A1TDP1MAPTLMNAHTT
SCHEMBL296681 0.75 TDP1 (0.64) ALDH1A1HIF1APKMTDP1MAPT
SCHEMBL6831725 0.75 ALDH1A1 (0.56) ALDH1A1HIF1AGAAVCAM1TDP1
SCHEMBL15072384 0.74 ALDH1A1 (0.60) ALDH1A1HIF1AGAAVCAM1TDP1
SCHEMBL30388759 0.74 ALDH1A1 (0.60) ALDH1A1HIF1AGAAVCAM1TDP1
SCHEMBL512256 0.73 ALDH1A1 (0.51) ALDH1A1HIF1AGAAVCAM1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020013496-A1 Benzene compounds as antiproliferative and cholesterol lowering agents AMGEN INC. 2002-01-31 US claimed
EP-1005453-A1 SUBSTITUTED BENZENE COMPOUNDS AS ANTIPROLIFERATIVE AND CHOLESTEROL LOWERING AGENTS TULARIK, INC. (US) 2000-06-07 EP claimed
WO-1999010320-A1 SUBSTITUTED BENZENE COMPOUNDS AS ANTIPROLIFERATIVE AND CHOLESTEROL LOWERING AGENTS TULARIK INC. (US) 1999-03-04 WO claimed

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-20020013496-A1 Benzene compounds as antiproliferative and cholesterol lowering agents CYP46A1, TGFB1, NR1H2 ALDH1A1 1173/4885HIF1A 648/4885GAA 1364/4885

“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.