SCHEMBL6203572

SCHEMBL6203572

N#CC1(c2cccc(N)c2)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MAP4K4 O95819 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
OPRM1 P35372 2/20 0.37
CYP3A4 P08684 1/20 0.37
CASP1 P29466 1/20 0.37
RECQL P46063 1/20 0.37
WDR5 P61964 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2815560 0.98 KMT2A (0.43) KMT2AMAP4K4ALDH1A1MEN1NPC1
SCHEMBL3225917 0.95 KMT2A (0.43) KMT2AMAP4K4ALDH1A1MEN1NPC1
SCHEMBL2816850 0.91 KMT2A (0.45) KMT2AOPRM1CYP3A4CASP1RECQL
SCHEMBL11708337 0.82 PDE4A (0.44) KMT2AALDH1A1MEN1OPRM1CYP3A4
SCHEMBL11704967 0.79 SLC6A3 (0.41) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL1019371 0.79 SLC6A4 (0.53) KMT2AMAP4K4ALDH1A1MEN1NPC1
SCHEMBL3171333 0.79 WDR5 (0.47) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL16691395 0.79 KMT2A (0.46) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL1020648 0.79 SLC6A4 (0.49) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL2815381 0.78 ALDH1A1 (0.55) KMT2AMAP4K4ALDH1A1MEN1NPC1

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-1501800-A1 BOMBESIN ANTAGONISTS Warner-Lambert Company LLC (US) 2005-02-02 EP disclosed
US-20040063643-A1 Bombesin antagonists PFIZER INC. 2004-04-01 US disclosed
WO-2003092670-A1 BOMBESIN ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2003-11-13 WO 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-20040063643-A1 Bombesin antagonists BRS3, NPSR1, GNRHR KMT2A 3959/4885MAP4K4 1677/4885ALDH1A1 3777/4885

“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.