SCHEMBL9288587

SCHEMBL9288587

CC(=O)c1ccc(C2NCc3c(Cl)cccc3-n3cccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ KMT2A Q03164 9/20 0.47
▸ MEN1 O00255 8/20 0.47
▸ ATM Q13315 3/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ TSHR P16473 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ NOTUM Q6P988 1/20 0.39
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34

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 0.89 L3MBTL1 (0.51) HSD17B10LMNAKMT2AMEN1ATM
SCHEMBL15311587 0.88 SMN1; SMN2 (0.43) HSD17B10LMNAKMT2AMEN1ATM
SCHEMBL9288632 0.87 HSD17B10 (0.45) HSD17B10LMNAKMT2AMEN1ATM
SCHEMBL15311612 0.87 SMN1; SMN2 (0.47) HSD17B10LMNAKMT2AMEN1ATM
SCHEMBL15311892 0.85 LMNA (0.40) HSD17B10LMNAKMT2AMEN1ATM
SCHEMBL8512597 0.83 L3MBTL1 (0.47) HSD17B10LMNAKMT2AMEN1ATM
SCHEMBL9288583 0.82 LMNA (0.47) HSD17B10LMNAKMT2AMEN1ATM
SCHEMBL9288963 0.82 KMT2A (0.48) HSD17B10LMNAKMT2AMEN1ATM
SCHEMBL13726427 0.80 L3MBTL1 (0.49) HSD17B10LMNAKMT2AMEN1ATM
SCHEMBL14815718 0.80 KMT2A (0.47) HSD17B10LMNAKMT2AMEN1ATM

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 9 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
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-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-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
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
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
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 HSD17B10 1504/4885LMNA 4506/4885KMT2A 2370/4885

“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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