SCHEMBL8512403

SCHEMBL8512403

CC(=O)c1ccc(C2=NCc3c(Cl)ccc(Cl)c3-n3cccc32)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PGR P06401 1/20 0.32
▸ HSD17B1 P14061 1/20 0.31
▸ FFAR2 O15552 1/20 0.30
▸ BRD4 O60885 1/20 0.30

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
SCHEMBL8515534 0.85 NOTUM (0.36) MAPTSMN1; SMN2PGRHSD17B1FFAR2
SCHEMBL8515471 0.84 NOTUM (0.38) MAPTSMN1; SMN2PGR
SCHEMBL8515612 0.81 LMNA (0.32) MAPTSMN1; SMN2BRD4
SCHEMBL14816038 0.80 — —
SCHEMBL8514315 0.76 LMNA (0.37) SMN1; SMN2
SCHEMBL9959681 0.75 KDM4E (0.35) SMN1; SMN2
SCHEMBL8512307 0.75 KIF11 (0.33) MAPTSMN1; SMN2PGR
SCHEMBL8515508 0.75 NOTUM (0.38) —
SCHEMBL13726823 0.73 KCNH2 (0.34) —
SCHEMBL15466029 0.73 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2643324-B1 ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-A][1,4]- BENZODIAZEPINES AND 6H-PYRROLO[1,2-A][1,4]BENZODIAZEPINES SUBSTITUTED WITH PHENYL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-04-13 — — EP disclosed
US-9040523-B2 Antifungal 5,6-dihydro-4H-pyrrolo[1,2-α][1,4]-benzodiazepines and 6H-pyrrolo[1,2-α][1,4]benzodiazepines substituted with benzene derivatives JANSSEN PHARMACEUTICA NV (BE) 2015-05-26 — — US disclosed
US-20130274250-A1 NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]-BENZODIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH BENZENE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2013-10-17 — — US disclosed
EP-2643324-A1 ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-A][1,4]-BENZODIAZEPINES AND 6H-PYRROLO[1,2-A][1,4]BENZODIAZEPINES SUBSTITUTED WITH PHENYL DERIVATIVES Janssen Pharmaceutica, N.V. (BE) 2013-10-02 — — EP disclosed
WO-2012069380-A1 ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-A][1,4]-BENZODIAZEPINES AND 6H-PYRROLO[1,2-A][1,4]BENZODIAZEPINES SUBSTITUTED WITH PHENYL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2012-05-31 — — WO 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-20130274250-A1 NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]-BENZODIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH BENZENE DERIVATIVES GABBR1, GABBR2, CYP1B1 MAPT 2545/4885SMN1; SMN2 4676/4885PGR 202/4885

“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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