SCHEMBL6799563

SCHEMBL6799563

Cn1c(C(NCc2ccc(O)cc2)C2CCCCC2)nc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
LMNA P02545 2/20 0.48
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 2/20 0.41
HTT P42858 1/20 0.41
CYP2D6 P10635 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.39
CTSS P25774 1/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC1 Q13547 1/20 0.39
RXFP1 Q9HBX9 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX5 P09917 1/20 0.38

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
SCHEMBL716234 0.74 KMT2A (0.51) KMT2ALMNAMEN1TP53HTT
SCHEMBL717350 0.74 TP53 (0.56) KMT2ALMNANPC1RAB9ATP53
SCHEMBL6803515 0.73 ITGB3 (0.39) KMT2ANPC1RAB9AMEN1CTSS
SCHEMBL718402 0.72 RCE1 (0.49) KMT2ALMNANPC1RAB9ATP53
SCHEMBL6802479 0.71 CTSS (0.43) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL6804384 0.71 CTSS (0.41) NPC1RAB9ATP53CTSS
SCHEMBL2867647 0.69 LMNA (0.55) KMT2ALMNAMEN1TP53CYP2D6
SCHEMBL9087858 0.68 RAB9A (0.50) NPC1RAB9ASMN1; SMN2
SCHEMBL7181514 0.68 RAB9A (0.50) NPC1RAB9ASMN1; SMN2
SCHEMBL718932 0.68 GCGR (0.49) HDAC6

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-20040063643-A1 Bombesin antagonists PFIZER INC. 2004-04-01 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-20040063643-A1 Bombesin antagonists BRS3, NPSR1, GNRHR KMT2A 3959/4885LMNA 2660/4885NPC1 2721/4885

“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.