SCHEMBL4910198

SCHEMBL4910198

C[C@@H]1CCN(C(=O)c2ccc(Br)c(OCc3ccccc3)c2)c2ccccc2N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.41
ATM Q13315 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMPD1 P17405 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
NAAA Q02083 2/20 0.37
HTR2A P28223 1/20 0.37

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
SCHEMBL4901827 0.90 HSD17B10 (0.43) ALDH1A1MAPTHPGDSMN1; SMN2MEN1
SCHEMBL4909173 0.87 PDE4A (0.36) ALDH1A1MAPTHPGDSMN1; SMN2MEN1
SCHEMBL4910137 0.87 PDE4A (0.36) ALDH1A1MAPTHPGDSMN1; SMN2MEN1
SCHEMBL4915030 0.86 PDE4A (0.47) ALDH1A1LMNAKMT2ABRD4PDCD1
SCHEMBL4904274 0.86 PDE4A (0.47) ALDH1A1LMNAKMT2ABRD4PDCD1
SCHEMBL4915179 0.85 PDE4A (0.39) ALDH1A1MAPTHPGDMEN1LMNA
SCHEMBL4910930 0.85 PDE4A (0.39) ALDH1A1MAPTHPGDMEN1LMNA
SCHEMBL4911669 0.84 KDM4E (0.37) ALDH1A1MAPTHPGDSMN1; SMN2MEN1
SCHEMBL4904249 0.83 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MEN1LMNAKMT2A
SCHEMBL4905965 0.83 HTR1D (0.39) ALDH1A1MAPTHPGDMEN1LMNA

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 ALDH1A1 492/4885MAPT 3584/4885HPGD 1289/4885

“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.