SCHEMBL8513339

SCHEMBL8513339

OCCc1ccc(C2NCc3cc(Cl)cc(Cl)c3-n3cccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ TSHR P16473 5/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ KMT2A Q03164 11/20 0.40
▸ MEN1 O00255 10/20 0.40
▸ ATM Q13315 2/20 0.40
▸ GAA P10253 3/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ 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
SCHEMBL8513790 0.83 LMNA (0.45) LMNAHSD17B10L3MBTL1TSHRSMN1; SMN2
SCHEMBL8534290 0.82 L3MBTL1 (0.55) LMNAHSD17B10L3MBTL1TSHRSMN1; SMN2
SCHEMBL8513296 0.81 LMNA (0.40) LMNAHSD17B10L3MBTL1TSHRSMN1; SMN2
SCHEMBL9288957 0.81 LMNA (0.45) LMNAHSD17B10L3MBTL1TSHRSMN1; SMN2
SCHEMBL8514592 0.81 KMT2A (0.53) LMNAHSD17B10L3MBTL1TSHRSMN1; SMN2
SCHEMBL14815298 0.79 L3MBTL1 (0.46) LMNAHSD17B10L3MBTL1TSHRSMN1; SMN2
SCHEMBL9959368 0.78 L3MBTL1 (0.50) LMNAHSD17B10L3MBTL1TSHRSMN1; SMN2
SCHEMBL8531891 0.76 LMNA (0.47) LMNAHSD17B10L3MBTL1TSHRSMN1; SMN2
SCHEMBL8514408 0.75 HSD17B10 (0.43) LMNAHSD17B10L3MBTL1TSHRSMN1; SMN2
SCHEMBL9959809 0.75 MEN1 (0.49) LMNAHSD17B10L3MBTL1TSHRSMN1; 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
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 LMNA 4506/4885HSD17B10 1504/4885L3MBTL1 4490/4885

“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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