SCHEMBL4770918

SCHEMBL4770918

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)c1ccc2nc(OC(=O)C(F)(F)F)sc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.43
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SLC2A1 P11166 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
RXFP1 Q9HBX9 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HSP90AA1 P07900 1/20 0.37
LMNA P02545 1/20 0.37
ATM Q13315 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
Trifluoroacetic Acid SCHEMBL4770904 0.79 RAB9A (0.52) KMT2AMEN1HPGDMAPTKDM4E
Trifluoroacetic Acid SCHEMBL4772603 0.78 SLC2A1 (0.50) HRH3KMT2AMEN1ALDH1A1HPGD
SCHEMBL4765563 0.78 RAB9A (0.53) KMT2AMEN1HPGDMAPTKDM4E
SCHEMBL4775136 0.77 HRH3 (0.43) HRH3KMT2AALDH1A1HPGDMAPT
SCHEMBL4772663 0.76 HRH3 (0.42) HRH3SLC2A1TRPV1NPC1RAB9A
SCHEMBL4768276 0.76 HTR1D (0.43) HRH3SLC2A1TRPV1
SCHEMBL4772409 0.76 RAB9A (0.51) HRH3KMT2AMEN1ALDH1A1HPGD
SCHEMBL7647123 0.76 PLAU (0.54) KMT2AMEN1ALDH1A1HPGDMAPT
Trifluoroacetic Acid SCHEMBL4775302 0.76 MAPT (0.48) KMT2AMEN1MAPTSLC2A1NPC1
SCHEMBL4768203 0.76 TRPV4 (0.59) HRH3KMT2AMEN1ALDH1A1MAPT

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-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP claimed
US-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists GLAXO GROUP LIMITED (GB) 2007-03-15 US claimed
EP-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 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-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists HRH3, HRH4, HRH1 HRH3 1/4885KMT2A 99/4885MEN1 2213/4885

“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.