SCHEMBL6799556

SCHEMBL6799556

Cn1c(C2(CNCc3ccc(O)cc3)CCCCC2)nc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.45
RAB9A P51151 7/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 3/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FGFR1 P11362 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
ESR1 P03372 1/20 0.37
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL6803510 0.73 ALDH1A1 (0.37) KMT2AALDH1A1ESR1
SCHEMBL6808948 0.72 ALDH1A1 (0.43) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL6802473 0.71 OPRM1 (0.47) ALDH1A1KDM4E
SCHEMBL6804377 0.70 LTA4H (0.33) KMT2ALMNAALDH1A1
SCHEMBL6799563 0.67 KMT2A (0.48) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL6807682 0.65 SLC6A4 (0.41) NPC1RAB9AALDH1A1KDM4ETSHR
SCHEMBL6203789 0.65 ALDH1A1 (0.43) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL6802801 0.65 KCNA3 (0.43) SMN1; SMN2LMNAALDH1A1NPSR1TSHR
SCHEMBL6492889 0.64 SMN1; SMN2 (0.52) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2867643 0.63 LMNA (0.49) NPC1RAB9AKMT2ASMN1; SMN2LMNA

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 NPC1 2721/4885RAB9A 1163/4885KMT2A 3959/4885

“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.