SCHEMBL5657561

SCHEMBL5657561

CCc1cc2c([N+](=O)[O-])cccc2c(Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.49
ALDH1A1 P00352 7/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 3/20 0.42
FBP1 P09467 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
GAA P10253 1/20 0.39
HPRT1 P00492 1/20 0.39
NOS1 P29475 1/20 0.38
PIN1 Q13526 1/20 0.38
MAPT P10636 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
SCHEMBL10262248 0.82 ALDH1A1 (0.53) TDP1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL824982 0.81 TDP1 (0.55) TDP1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5658295 0.73 PARP1 (0.44) TDP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL11264007 0.73 ALDH1A1 (0.44) TDP1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2191003 0.73 TDP1 (0.52) TDP1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL113118 0.73 TXNRD1 (0.41) TDP1ALDH1A1NCOA1NCOA3GAA
SCHEMBL26059158 0.71 TDP1 (0.69) TDP1ALDH1A1SMN1; SMN2POLBFBP1
SCHEMBL2379102 0.70 TDP1 (0.62) TDP1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL15170251 0.70 ALDH1A1 (0.51) TDP1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1351402 0.69 ALDH1A1 (0.55) TDP1ALDH1A1SMN1; SMN2MEN1KMT2A

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
US-7285563-B2 Heteroaromatic urea derivatives as VR-1 receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2007-10-23 US disclosed
US-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2005-05-19 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-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain ARRB1, OPRL1, CNR1 TDP1 4108/4885ALDH1A1 1267/4885SMN1; SMN2 4257/4885

“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.