SCHEMBL3223967

SCHEMBL3223967

C#Cc1c([CH2])cccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
GPR35 Q9HC97 2/20 0.44
ALDH1A1 P00352 6/20 0.40
TSHR P16473 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
S100A4 P26447 2/20 0.39
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
PDE10A Q9Y233 1/20 0.36
PLAU P00749 1/20 0.36
PTPRC P08575 1/20 0.36
ERN1 O75460 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL16959740 0.81 TDP1 (0.45) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL13982690 0.79 HPGD (0.47) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL16956383 0.79 TDP1 (0.42) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL10724399 0.78 TDP1 (0.45) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL13982728 0.78 TDP1 (0.45) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL13983226 0.78 TSHR (0.58) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL16951398 0.74 ERN1 (0.47) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL9193204 0.74 ALDH1A1 (0.68) TDP1GPR35ALDH1A1TSHRS100A4
SCHEMBL1507653 0.74 TDP1 (0.44) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL16953606 0.74 TSHR (0.46) TDP1GPR35ALDH1A1TSHRSMN1; SMN2

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 TDP1 1863/4885GPR35 1206/4885ALDH1A1 1958/4885

“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.