SCHEMBL9959808

SCHEMBL9959808

Clc1cc(Cl)c2c(c1)-n1cccc1C(c1ccc3c(c1)CCO3)NC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ LMNA P02545 4/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ MEN1 O00255 11/20 0.42
▸ KMT2A Q03164 11/20 0.42
▸ TSHR P16473 5/20 0.42
▸ GAA P10253 3/20 0.42
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ATM Q13315 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35

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
SCHEMBL15303497 0.89 L3MBTL1 (0.49) L3MBTL1LMNAHSD17B10MEN1KMT2A
SCHEMBL9959861 0.88 LMNA (0.45) L3MBTL1LMNAHSD17B10MEN1KMT2A
SCHEMBL9959809 0.85 MEN1 (0.49) L3MBTL1LMNAHSD17B10MEN1KMT2A
SCHEMBL15303674 0.84 MEN1 (0.48) L3MBTL1LMNAHSD17B10MEN1KMT2A
SCHEMBL9959591 0.83 L3MBTL1 (0.52) L3MBTL1LMNAHSD17B10MEN1KMT2A
SCHEMBL15303591 0.81 L3MBTL1 (0.49) L3MBTL1LMNAHSD17B10MEN1KMT2A
SCHEMBL15317617 0.78 L3MBTL1 (0.45) L3MBTL1LMNAHSD17B10MEN1KMT2A
SCHEMBL15303711 0.76 MEN1 (0.50) L3MBTL1LMNAHSD17B10MEN1KMT2A
SCHEMBL14815707 0.74 L3MBTL1 (0.46) L3MBTL1LMNAHSD17B10MEN1KMT2A
SCHEMBL9288632 0.74 HSD17B10 (0.45) L3MBTL1LMNAHSD17B10MEN1KMT2A

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
US-9040524-B2 Antifungal 5,6-dihydro-4H-pyrrolo[1,2-a][1,4]-benzodiazepines and 6H-pyrrolo[1,2-a][1,4]benzodiazepines substituted with bicycle benzene derivatives JANSSEN PHARMACEUTICA NV (BE) 2015-05-26 — — US disclosed
EP-2668187-B1 NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]- BENZODIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH BICYCLIC BENZENE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2014-10-15 — — EP disclosed
EP-2668187-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 BICYCLIC BENZENE DERIVATIVES Janssen Pharmaceutica, N.V. (BE) 2013-12-04 — — EP disclosed
US-20130267507-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 BICYCLIC BENZENE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2013-10-10 — — US disclosed
WO-2012084804-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 BICYCLIC BENZENE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2012-06-28 — — 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-20130267507-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 BICYCLIC BENZENE DERIVATIVES GABBR1, CYP1B1, GABBR2 L3MBTL1 4355/4885LMNA 4329/4885HSD17B10 1381/4885

“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.

Send feedback