SCHEMBL6203789

SCHEMBL6203789

Cn1c(C2(C#N)CCCCC2)nc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
PDE4A P27815 1/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 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
SCHEMBL14895736 0.96 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2ATMLMNAKMT2A
SCHEMBL6492889 0.73 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2ATMLMNAKMT2A
SCHEMBL4155861 0.67 GRM2 (0.58) SMN1; SMN2LMNAMAPT
SCHEMBL30792923 0.67 HSD11B1 (0.52) SMN1; SMN2ATMKMT2ANPC1RAB9A
SCHEMBL17995255 0.67 HSD11B1 (0.52) SMN1; SMN2ATMKMT2ANPC1RAB9A
SCHEMBL15136392 0.67 RAB9A (0.44) ALDH1A1SMN1; SMN2ATMKMT2ATSHR
SCHEMBL1997873 0.66 PSMB8 (0.56) ALDH1A1SMN1; SMN2ATMLMNAKMT2A
SCHEMBL15154856 0.66 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2ATMLMNAKMT2A
SCHEMBL30421147 0.65 OPRM1 (0.47) ALDH1A1SMN1; SMN2ATMLMNATSHR
SCHEMBL19093956 0.65 OPRM1 (0.47) ALDH1A1SMN1; SMN2ATMLMNATSHR

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 ALDH1A1 3777/4885SMN1; SMN2 1091/4885PDE4A 259/4885

“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.