SCHEMBL15311612

SCHEMBL15311612

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KMT2A Q03164 11/20 0.47
▸ MEN1 O00255 10/20 0.47
▸ ATM Q13315 3/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NOTUM Q6P988 1/20 0.39

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
SCHEMBL9288959 0.88 SMN1; SMN2 (0.44) SMN1; SMN2TSHRMAPK1KMT2AMEN1
SCHEMBL15311587 0.81 SMN1; SMN2 (0.43) SMN1; SMN2TSHRMAPK1KMT2AMEN1
SCHEMBL8512597 0.77 L3MBTL1 (0.47) SMN1; SMN2TSHRMAPK1KMT2AMEN1
SCHEMBL9286188 0.77 L3MBTL1 (0.55) SMN1; SMN2TSHRMAPK1KMT2AMEN1
SCHEMBL15311892 0.76 LMNA (0.40) SMN1; SMN2TSHRMAPK1KMT2AMEN1
SCHEMBL9288970 0.76 L3MBTL1 (0.51) SMN1; SMN2TSHRMAPK1KMT2AMEN1
SCHEMBL9288583 0.76 LMNA (0.47) SMN1; SMN2TSHRMAPK1KMT2AMEN1
SCHEMBL13726674 0.74 KMT2A (0.48) SMN1; SMN2TSHRMAPK1KMT2AMEN1
Hydrochloric Acid SCHEMBL15466041 0.73 KMT2A (0.50) SMN1; SMN2TSHRMAPK1KMT2AMEN1
SCHEMBL9288957 0.72 LMNA (0.45) SMN1; SMN2TSHRMAPK1KMT2AMEN1

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 4676/4885TSHR 1616/4885MAPK1 2301/4885

“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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