SCHEMBL3223970

SCHEMBL3223970

C#C[CH]c1cccc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.59
FBP1 P09467 2/20 0.57
VCP P55072 1/20 0.57
CYP19A1 P11511 1/20 0.57
TSHR P16473 3/20 0.55
LMNA P02545 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
METAP1 P53582 1/20 0.53
GLO1 Q04760 1/20 0.51
ALDH1A1 P00352 4/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
AMY1A P0DUB6 1/20 0.48
HTT P42858 1/20 0.48
MAOB P27338 1/20 0.48
ACHE P22303 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL3217063 0.79 NFE2L2 (0.65) NFE2L2FBP1VCPCYP19A1TSHR
SCHEMBL15498134 0.79 NFE2L2 (0.89) NFE2L2FBP1VCPCYP19A1TSHR
SCHEMBL14880346 0.79 NFE2L2 (0.69) NFE2L2FBP1VCPCYP19A1TSHR
3-Nitrobenzaldehyde SCHEMBL54487 0.77 NFE2L2 (0.67) NFE2L2FBP1VCPCYP19A1TSHR
3-Nitrobenzaldehyde SCHEMBL29573715 0.77 NFE2L2 (0.67) NFE2L2FBP1VCPCYP19A1TSHR
SCHEMBL3218905 0.77 APP (0.53) FBP1CYP19A1LMNAMETAP1ALDH1A1
SCHEMBL7573955 0.76 FBP1 (0.57) NFE2L2FBP1VCPCYP19A1TSHR
SCHEMBL453450 0.76 NFE2L2 (0.65) NFE2L2FBP1VCPCYP19A1TSHR
SCHEMBL11301074 0.76 CYP19A1 (0.93) NFE2L2FBP1VCPCYP19A1TSHR
SCHEMBL9727291 0.76 NFE2L2 (0.65) NFE2L2FBP1VCPCYP19A1TSHR

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-103221384-B Benzamide derivative with anticancer activity and preparation method and application thereof ZHEJIANG HISUN PHARM CO LTD 2015-05-13 CN disclosed
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 NFE2L2 2514/4885FBP1 493/4885VCP 4267/4885

“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.