SCHEMBL405851

SCHEMBL405851

Cc1cc2c(cc1Cl)nc(Cl)c1nncn12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.48
MEN1 O00255 5/20 0.48
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.44
RXFP1 Q9HBX9 1/20 0.43
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
HRH4 Q9H3N8 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL404282 0.82 KMT2A (0.50) KMT2AMEN1NPC1MAPTPOLB
SCHEMBL405251 0.82 RXFP1 (0.43) KMT2AMEN1MAPTRXFP1HRH4
SCHEMBL404180 0.79 KMT2A (0.64) KMT2AMEN1NPC1MAPTRXFP1
SCHEMBL462752 0.78 MAPT (0.43) KMT2AMEN1MAPTRXFP1POLB
SCHEMBL10844244 0.78 MEN1 (0.43) KMT2AMEN1MAPTRXFP1POLB
SCHEMBL404333 0.78 HRH4 (0.69) KMT2AHRH4HRH3KDM4EALDH1A1
SCHEMBL405875 0.77 HRH4 (0.61) KMT2AMAPTPOLBHRH4HRH3
SCHEMBL405269 0.75 HRH4 (0.60) KMT2AMEN1MAPTRXFP1POLB
SCHEMBL10847492 0.75 MAPT (0.47) KMT2AMEN1MAPTRXFP1POLB
SCHEMBL14829007 0.74 HRH4 (0.57) KMT2AMEN1RXFP1POLBRAB9A

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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US 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 (2 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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 KMT2A 751/4885MEN1 667/4885NPC1 2861/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 KMT2A 751/4885MEN1 667/4885NPC1 2861/4885

“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.