SCHEMBL3218901

SCHEMBL3218901

C#Cc1cc([N+](=O)[O-])ccc1[CH2]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.46
TSHR P16473 4/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 3/20 0.41
HSD17B10 Q99714 1/20 0.41
PTPRC P08575 1/20 0.40
S100A4 P26447 1/20 0.40
GPR35 Q9HC97 2/20 0.39
CYP3A4 P08684 2/20 0.39
HIF1A Q16665 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39
TXNRD1 Q16881 1/20 0.38
TXNRD3 Q86VQ6 1/20 0.38
TXNRD2 Q9NNW7 1/20 0.38
GAA P10253 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
SCHEMBL28628385 0.79 TDP1 (0.55) VCAM1TSHRLMNAALDH1A1TDP1
SCHEMBL3874387 0.78 ALDH1A1 (0.56) VCAM1TSHRLMNAALDH1A1TDP1
SCHEMBL4645678 0.78 ALDH1A1 (0.56) VCAM1TSHRLMNAALDH1A1TDP1
SCHEMBL29980060 0.78 ALDH1A1 (0.60) VCAM1TSHRLMNAALDH1A1TDP1
SCHEMBL23648373 0.78 ALDH1A1 (0.60) VCAM1TSHRLMNAALDH1A1TDP1
SCHEMBL15461632 0.76 VCAM1 (0.62) VCAM1TSHRLMNAALDH1A1TDP1
SCHEMBL5499188 0.76 TDP1 (0.55) VCAM1TSHRLMNAALDH1A1TDP1
SCHEMBL5953847 0.75 ALDH1A1 (0.67) TSHRLMNAALDH1A1TDP1HSD17B10
SCHEMBL9128454 0.74 ALDH1A1 (0.60) VCAM1TSHRLMNAALDH1A1TDP1
SCHEMBL26215261 0.74 HSD17B10 (0.60) VCAM1TSHRLMNAALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069244-A1 Pyridine Compounds for Combating Pests BASF SE (DE) 2010-03-18 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-20100069244-A1 Pyridine Compounds for Combating Pests CHRM1, PRDX1, CHRM2 VCAM1 4553/4885TSHR 1014/4885LMNA 3402/4885

“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.