SCHEMBL12898251

SCHEMBL12898251

O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ncccc1N1CCCC1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPIF P30405 1/20 0.52
▸ PPIA P62937 1/20 0.52
▸ MEN1 O00255 6/20 0.48
▸ KMT2A Q03164 6/20 0.48
▸ KDR P35968 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ TRPV1 Q8NER1 1/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ NR1H4 Q96RI1 1/20 0.44
▸ GAA P10253 2/20 0.43
▸ MAPT P10636 4/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MYOC Q99972 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL12898282 0.86 NPC1 (0.53) PPIAMEN1KMT2ARAB9AGAA
SCHEMBL12898269 0.82 TRPV1 (0.44) MEN1KMT2ATRPV1RAB9ANR1H4
SCHEMBL12898265 0.82 FPR2 (0.44) PPIAMEN1KMT2APOLBRAB9A
SCHEMBL12898255 0.82 PPIA (0.51) PPIAMEN1KMT2ATRPV1RAB9A
SCHEMBL12898271 0.81 TSHR (0.49) MEN1KMT2APOLBRAB9AGAA
SCHEMBL12898256 0.78 SHMT2 (0.52) MEN1KMT2APOLBRAB9AMAPT
SCHEMBL12898258 0.78 SMN1; SMN2 (0.67) MEN1KMT2APOLBRAB9AGAA
SCHEMBL1269344 0.77 SHMT2 (0.53) MEN1KMT2APOLBRAB9AGAA
SCHEMBL12898263 0.77 MAPK1 (0.42) MEN1KMT2ARAB9AGAAMAPT
SCHEMBL12898272 0.75 TSHR (0.40) MEN1KMT2ARAB9AGAAMAPT

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-20110039893-A1 GSK-3BETA INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-02-17 — — 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-20110039893-A1 GSK-3BETA INHIBITOR GSK3B, GSK3A, GSKIP PPIF 2622/4885PPIA 2854/4885MEN1 1917/4885

“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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