SCHEMBL15311587

SCHEMBL15311587

CC(=O)c1ccc(C2NCc3c(ccc(Cl)c3Cl)-n3cccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ KMT2A Q03164 8/20 0.43
▸ MEN1 O00255 7/20 0.43
▸ ATM Q13315 2/20 0.43
▸ MAPK1 P28482 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ NOTUM Q6P988 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ GLA P06280 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MAPT P10636 1/20 0.33

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
SCHEMBL15311892 0.84 LMNA (0.40) SMN1; SMN2HSD17B10ALDH1A1HPGDLMNA
SCHEMBL15311612 0.81 SMN1; SMN2 (0.47) SMN1; SMN2HSD17B10ALDH1A1HPGDLMNA
SCHEMBL14815807 0.80 KMT2A (0.43) SMN1; SMN2HSD17B10ALDH1A1HPGDLMNA
Hydrochloric Acid SCHEMBL14816082 0.80 KMT2A (0.45) SMN1; SMN2HSD17B10ALDH1A1HPGDLMNA
SCHEMBL9288583 0.77 LMNA (0.47) SMN1; SMN2HSD17B10ALDH1A1HPGDLMNA
SCHEMBL15311546 0.76 L3MBTL1 (0.49) SMN1; SMN2HSD17B10ALDH1A1HPGDLMNA
SCHEMBL9288957 0.75 LMNA (0.45) SMN1; SMN2HSD17B10ALDH1A1HPGDLMNA
SCHEMBL8512597 0.72 L3MBTL1 (0.47) SMN1; SMN2HSD17B10ALDH1A1HPGDLMNA
SCHEMBL8512531 0.72 HSD17B10 (0.45) SMN1; SMN2HSD17B10ALDH1A1HPGDLMNA
SCHEMBL14815718 0.68 KMT2A (0.47) SMN1; SMN2HSD17B10ALDH1A1HPGDLMNA

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 3 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

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 SMN1; SMN2 4676/4885HSD17B10 1504/4885ALDH1A1 214/4885

“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