SCHEMBL4907074

SCHEMBL4907074

C[C@H]1CCN(C(=O)c2ccc(Br)c(OCCCN3C(=O)CNC3=O)c2)c2ccccc2N1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 6/20 0.34
LMNA P02545 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
BRD4 O60885 4/20 0.33
ATAD2 Q6PL18 1/20 0.33
MAPT P10636 3/20 0.33
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 2/20 0.32
ROCK2 O75116 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
SPTLC2 O15270 1/20 0.32
MEN1 O00255 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL4910137 0.87 PDE4A (0.36) KMT2AALDH1A1LMNAPDE4APDE4B
SCHEMBL4909173 0.87 PDE4A (0.36) KMT2AALDH1A1LMNAPDE4APDE4B
SCHEMBL4904249 0.87 ALDH1A1 (0.40) KMT2AALDH1A1LMNAKDM4EMEN1
SCHEMBL4913115 0.85 PDCD1 (0.34) KMT2AALDH1A1BRD4KDM4EROCK2
SCHEMBL4911669 0.84 KDM4E (0.37) KMT2AALDH1A1LMNAPDE4APDE4B
SCHEMBL14432413 0.84 ROCK2 (0.36) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL4910015 0.83 OXTR (0.37) KMT2AROCK2OXTR
SCHEMBL4905965 0.83 HTR1D (0.39) KMT2AALDH1A1LMNAPDE4APDE4B
SCHEMBL4912250 0.83 HTR1D (0.39) KMT2AALDH1A1LMNAPDE4APDE4B
SCHEMBL4915070 0.82 AVPR2 (0.38) KMT2AALDH1A1LMNAPDE4APDE4B

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 KMT2A 2872/4885ALDH1A1 492/4885LMNA 2104/4885

“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.