SCHEMBL17434558

SCHEMBL17434558

CCn1c(=O)n(CCOC)c(=O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.60
▸ PARG Q86W56 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ MAPT P10636 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PDE4A P27815 1/20 0.45
▸ PDE4B Q07343 1/20 0.45
▸ PDE4C Q08493 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ F2RL3 Q96RI0 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ ATM Q13315 1/20 0.43

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
SCHEMBL17434526 0.95 PARG (0.59) CYP1A2PARGKMT2AMAPTMEN1
SCHEMBL17434506 0.93 CYP1A2 (0.57) CYP1A2PARGKMT2AMAPTMEN1
SCHEMBL17434602 0.88 PARG (0.60) CYP1A2PARGKMT2AMAPTMEN1
SCHEMBL25425476 0.88 F2RL3 (0.50) CYP1A2PARGKMT2AMAPTMEN1
SCHEMBL17434573 0.88 CYP1A2 (0.63) CYP1A2PARGKMT2AMAPTMEN1
SCHEMBL17434620 0.87 CYP1A2 (0.73) CYP1A2PARGKMT2AMAPTMEN1
SCHEMBL17434270 0.85 CYP1A2 (0.59) CYP1A2PARGKMT2AMAPTMEN1
SCHEMBL25422095 0.85 PARG (0.48) CYP1A2PARGKMT2AMEN1LMNA
SCHEMBL25424268 0.84 PARG (0.47) CYP1A2PARGKMT2AMEN1LMNA
SCHEMBL25422902 0.84 KMT2A (0.51) CYP1A2PARGKMT2AMAPTMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834520-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-05 — — US disclosed
US-20160229814-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-11 — — US disclosed
EP-2975031-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-01-20 — — EP 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-20160229814-A1 HETEROCYCLIC COMPOUND RORB, RORC, RORA CYP1A2 159/4885PARG 4344/4885KMT2A 234/4885

“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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