SCHEMBL6071986

SCHEMBL6071986

Cc1cc2cc([N+](=O)[O-])cc(C(N)=O)c2nc1C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 2/20 0.42
MITF O75030 1/20 0.42
HTT P42858 1/20 0.42
CCR6 P51684 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
NQO2 P16083 1/20 0.39
CASP1 P29466 1/20 0.36
GPR35 Q9HC97 1/20 0.36
PARP1 P09874 1/20 0.36
TSHR P16473 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
SCHEMBL30597565 0.74 ALDH1A1 (0.61) ALDH1A1LMNASMN1; SMN2CYP3A4MAPT
SCHEMBL27597666 0.73 ALDH1A1 (0.56) ALDH1A1LMNASMN1; SMN2CYP3A4MAPT
SCHEMBL31414427 0.72 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2CYP3A4MAPT
SCHEMBL11868351 0.72 ALDH1A1 (0.59) ALDH1A1LMNASMN1; SMN2CYP3A4MAPT
SCHEMBL377142 0.72 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2CYP3A4MAPT
SCHEMBL27830076 0.71 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2CYP3A4MAPT
SCHEMBL4961753 0.71 PARP1 (0.61) ALDH1A1CYP3A4PARP1
SCHEMBL11720245 0.71 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2CYP3A4MAPT
SCHEMBL29923361 0.71 PARP1 (0.61) ALDH1A1CYP3A4PARP1
SCHEMBL6559835 0.71 ALDH1A1 (0.57) ALDH1A1LMNASMN1; SMN2CYP3A4MAPT

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-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2006-11-23 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-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same TNNI3K, CSNK1A1L, CDKL1 ALDH1A1 3975/4885LMNA 2364/4885SMN1; SMN2 4362/4885

“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.