SCHEMBL4907033

SCHEMBL4907033

O=C1C[C@H](CO)Nc2ccccc2N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 12/20 1.00
BRD4 O60885 8/20 0.71
EP300 Q09472 1/20 0.57
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
BRPF1 P55201 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.40
AHR P35869 1/20 0.39
PDK2 Q15119 1/20 0.39
SIRT2 Q8IXJ6 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
SCHEMBL14258530 1.00 CREBBP (1.00) CREBBPBRD4EP300ALDH1A1NPC1
SCHEMBL4905898 1.00 CREBBP (1.00) CREBBPBRD4EP300ALDH1A1NPC1
SCHEMBL4907068 0.83 CREBBP (1.00) CREBBPBRD4EP300NPC1MAPK13
SCHEMBL17680224 0.83 CREBBP (1.00) CREBBPBRD4EP300NPC1MAPK13
SCHEMBL6976367 0.74
SCHEMBL6976364 0.74
SCHEMBL9035200 0.74
SCHEMBL1193549 0.74 CREBBP (0.59) CREBBPMAPT
SCHEMBL550431 0.74 CREBBP (0.59) CREBBPMAPT
SCHEMBL2450511 0.74 CREBBP (0.59) CREBBPMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 US disclosed
EP-1820799-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION Wakamoto Pharmaceutical Co., Ltd. (JP) 2007-08-22 EP 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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION GABRA5, GABRA1, GABRB1 CREBBP 577/4885BRD4 295/4885EP300 3151/4885

“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.