SCHEMBL8531891

SCHEMBL8531891

OCCc1ccc(C2NCc3c(Cl)cccc3-n3cccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ KMT2A Q03164 11/20 0.44
▸ MEN1 O00255 10/20 0.44
▸ ATM Q13315 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ POLB P06746 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
SCHEMBL8514408 0.88 HSD17B10 (0.43) LMNAHSD17B10L3MBTL1SMN1; SMN2TSHR
SCHEMBL8513790 0.87 LMNA (0.45) LMNAHSD17B10L3MBTL1SMN1; SMN2TSHR
SCHEMBL9288963 0.86 KMT2A (0.48) LMNAHSD17B10L3MBTL1SMN1; SMN2TSHR
SCHEMBL8513296 0.85 LMNA (0.40) LMNAHSD17B10L3MBTL1SMN1; SMN2TSHR
SCHEMBL13726427 0.80 L3MBTL1 (0.49) LMNAHSD17B10L3MBTL1SMN1; SMN2TSHR
SCHEMBL9288587 0.80 HSD17B10 (0.47) LMNAHSD17B10L3MBTL1SMN1; SMN2TSHR
Bromide SCHEMBL15466167 0.79 L3MBTL1 (0.48) LMNAHSD17B10L3MBTL1SMN1; SMN2TSHR
SCHEMBL8534290 0.79 L3MBTL1 (0.55) LMNAHSD17B10L3MBTL1SMN1; SMN2TSHR
SCHEMBL9288658 0.78 L3MBTL1 (0.53) LMNAHSD17B10L3MBTL1SMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL14816062 0.77 KMT2A (0.49) LMNAHSD17B10L3MBTL1SMN1; SMN2TSHR

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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