SCHEMBL4910046

SCHEMBL4910046

C[C@H]1CCN(C(=O)c2ccc(Br)c(C(=O)OCc3ccncc3)c2)c2ccccc2N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
CNR2 P34972 1/20 0.36
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 2/20 0.34
GPBAR1 Q8TDU6 5/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GCGR P47871 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
TP53 P04637 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
AVPR2 P30518 1/20 0.32

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
SCHEMBL4910029 0.84 GPBAR1 (0.39) BRD4KDM4EKMT2AGPBAR1ALDH1A1
SCHEMBL4902269 0.84 PTPN2 (0.35) BRD4KDM4EKMT2AGPBAR1ALDH1A1
SCHEMBL4910058 0.82 GPBAR1 (0.39) GPBAR1
SCHEMBL14432382 0.82 BRD4 (0.33) BRD4CREBBPCNR2GPBAR1
SCHEMBL4906946 0.81 GPBAR1 (0.41) BRD4KMT2AGPBAR1ALDH1A1NPSR1
SCHEMBL4910198 0.79 ALDH1A1 (0.44) BRD4CREBBPKMT2AALDH1A1HPGD
SCHEMBL4911878 0.78 GPBAR1 (0.34) BRD4KDM4EKMT2AGPBAR1ALDH1A1
SCHEMBL4907328 0.78 KDM4E (0.36) KDM4EGPBAR1ALDH1A1MAPK1CYP2D6
SCHEMBL4902302 0.77 TSHR (0.41) BRD4CREBBPKMT2AGPBAR1ALDH1A1
SCHEMBL4912334 0.77 GPBAR1 (0.42) BRD4KMT2AGPBAR1ALDH1A1HPGD

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 BRD4 295/4885CREBBP 577/4885CNR2 53/4885

“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.