SCHEMBL12225321

SCHEMBL12225321

[C-]#[N+]c1cc2c(cc1C)nc(N1CCN(C)CC1)c1nnnn12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.54
KDM4E B2RXH2 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 7/20 0.50
HRH4 Q9H3N8 4/20 0.50
HRH3 Q9Y5N1 3/20 0.50
TSHR P16473 3/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
USP2 O75604 2/20 0.43
HBB P68871 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.40

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
SCHEMBL12225316 0.96 TP53 (0.54) TP53KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL12225317 0.88 TP53 (0.51) TP53KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL12225326 0.83 TP53 (0.51) TP53KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL405295 0.83 MAPT (0.55) TP53KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL12225045 0.81 MAPT (0.55) TP53KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL406209 0.81 MAPT (0.55) TP53KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL12225294 0.80 HRH4 (0.64) TP53KDM4EKMT2AMAPTHRH4
SCHEMBL12224892 0.79 HRH4 (0.62) TP53KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL405239 0.79 HRH4 (0.56) TP53KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL12225341 0.78 TP53 (0.50) TP53KDM4EMEN1KMT2ASMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 TP53 3565/4885KDM4E 1897/4885MEN1 667/4885

“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.