SCHEMBL8512597

SCHEMBL8512597

CC(=O)c1cc(C2NCc3c(Cl)cccc3-n3cccc32)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MEN1 O00255 10/20 0.41
▸ KMT2A Q03164 10/20 0.41
▸ ATM Q13315 3/20 0.41
▸ POLB P06746 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ LIG1 P18858 1/20 0.35
▸ SLC40A1 Q9NP59 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
SCHEMBL9288970 0.84 L3MBTL1 (0.51) L3MBTL1HSD17B10LMNAMEN1KMT2A
SCHEMBL9288587 0.83 HSD17B10 (0.47) L3MBTL1HSD17B10LMNAMEN1KMT2A
SCHEMBL15311612 0.77 SMN1; SMN2 (0.47) L3MBTL1HSD17B10LMNAMEN1KMT2A
SCHEMBL15311546 0.76 L3MBTL1 (0.49) L3MBTL1HSD17B10LMNAMEN1KMT2A
SCHEMBL9288632 0.76 HSD17B10 (0.45) L3MBTL1HSD17B10LMNAMEN1KMT2A
SCHEMBL14816034 0.76 KMT2A (0.59) L3MBTL1HSD17B10LMNAMEN1KMT2A
SCHEMBL14815718 0.75 KMT2A (0.47) L3MBTL1HSD17B10LMNAMEN1KMT2A
SCHEMBL14815901 0.75 KMT2A (0.47) L3MBTL1HSD17B10LMNAMEN1KMT2A
SCHEMBL10074344 0.75 L3MBTL1 (0.56) L3MBTL1HSD17B10LMNAMEN1KMT2A
SCHEMBL15303480 0.75 MEN1 (0.58) L3MBTL1HSD17B10LMNAMEN1KMT2A

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 L3MBTL1 4490/4885HSD17B10 1504/4885LMNA 4506/4885

“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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