SCHEMBL12789340

SCHEMBL12789340

Cc1nc2ccc([N+](=O)[O-])cc2c(=O)n1C(Cc1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.55
▸ KMT2A Q03164 6/20 0.55
▸ POLB P06746 2/20 0.55
▸ DHFR P00374 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ NPC1 O15118 1/20 0.44

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
SCHEMBL12789251 0.84 MEN1 (0.56) MEN1KMT2APOLBALDH1A1NPC1
SCHEMBL12846922 0.83 MEN1 (0.39) MEN1KMT2APOLBALDH1A1
SCHEMBL12788356 0.82 KDM4E (0.49) MEN1KMT2ADHFRALDH1A1
SCHEMBL12788809 0.82 KMT2A (0.45) MEN1KMT2APOLBALDH1A1
SCHEMBL12788348 0.81 PDE3B (0.41) MEN1KMT2ADHFRALDH1A1
SCHEMBL12847203 0.81 MEN1 (0.37) MEN1KMT2APOLBNPC1
SCHEMBL12847376 0.80 KMT2A (0.40) MEN1KMT2APOLBDHFRALDH1A1
SCHEMBL5864193 0.78 MEN1 (0.88) MEN1KMT2APOLBDHFRALDH1A1
SCHEMBL12789849 0.77 DHFR (0.36) MEN1KMT2APOLBDHFRALDH1A1
SCHEMBL12788804 0.76 POLB (0.39) MEN1KMT2APOLBDHFR

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-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS MERCK SHARP & DOHME CORP. 2011-03-17 — — 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-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS GPR119, GPR39, GPR65 MEN1 3069/4885KMT2A 3444/4885POLB 4577/4885

“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.

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