SCHEMBL9959591

SCHEMBL9959591

Clc1cc(Cl)c2c(c1)-n1cccc1C(c1ccc3c(c1)CCC3)NC2

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ LMNA P02545 3/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ TSHR P16473 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ MEN1 O00255 11/20 0.43
▸ KMT2A Q03164 11/20 0.43
▸ ATM Q13315 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ POLB P06746 1/20 0.36
▸ LIG1 P18858 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
SCHEMBL10074344 0.88 L3MBTL1 (0.56) L3MBTL1LMNAHSD17B10TSHRSMN1; SMN2
SCHEMBL9959726 0.87 LMNA (0.51) L3MBTL1LMNAHSD17B10TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL16161429 0.87 LMNA (0.56) L3MBTL1LMNAHSD17B10TSHRSMN1; SMN2
SCHEMBL9959368 0.83 L3MBTL1 (0.50) L3MBTL1LMNAHSD17B10TSHRSMN1; SMN2
SCHEMBL9959808 0.83 L3MBTL1 (0.46) L3MBTL1LMNAHSD17B10TSHRSMN1; SMN2
SCHEMBL9958653 0.82 LMNA (0.47) L3MBTL1LMNAHSD17B10TSHRSMN1; SMN2
SCHEMBL15317617 0.79 L3MBTL1 (0.45) L3MBTL1LMNAHSD17B10TSHRSMN1; SMN2
SCHEMBL14815707 0.77 L3MBTL1 (0.46) L3MBTL1LMNAHSD17B10TSHRSMN1; SMN2
SCHEMBL9288632 0.77 HSD17B10 (0.45) L3MBTL1LMNAHSD17B10TSHRSMN1; SMN2
SCHEMBL8513790 0.77 LMNA (0.45) L3MBTL1LMNAHSD17B10TSHRSMN1; SMN2

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