SCHEMBL11909458

SCHEMBL11909458

O=[N+]([O-])c1[c]cc(F)c(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.38
MAPT P10636 3/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 2/20 0.34
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HIF1A Q16665 1/20 0.32
CYP3A4 P08684 1/20 0.32
VCAM1 P19320 1/20 0.31
GLA P06280 1/20 0.31
RIPK1 Q13546 1/20 0.30

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
SCHEMBL6506181 0.85 ATM (0.37) VCPMAPTPKMMAPK1ATM
SCHEMBL4577560 0.82 ATM (0.36) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL1822058 0.78 ALDH1A1 (0.46) MAPTPKMMAPK1ATMTDP1
SCHEMBL27684781 0.77 ALDH1A1 (0.36) MAPTMAPK1ATMTDP1ALDH1A1
SCHEMBL4902091 0.77 CA12 (0.34) MAPTMAPK1TDP1ALDH1A1HIF1A
SCHEMBL9304210 0.74 ALDH1A1 (0.33) MAPTMAPK1ATMTDP1ALDH1A1
SCHEMBL28774035 0.73 ALDH1A1 (0.36) MAPTMAPK1ATMTDP1ALDH1A1
SCHEMBL21808035 0.73 HTT (0.38) MAPTPKMTDP1ALDH1A1CYP3A4
SCHEMBL27818989 0.73 ALDH1A1 (0.33) TDP1ALDH1A1HIF1ACYP3A4
SCHEMBL28738082 0.69 HTT (0.38) MAPTPKMTDP1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117203199-A N2-phenylpyrimidine-2, 4-diamine compounds, methods of making and using the same 毕利吉生物科技股份有限公司 2023-12-08 CN disclosed
US-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-08-16 US 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-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 VCP 2468/4885MAPT 4399/4885PKM 1469/4885

“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.