SCHEMBL2807844

SCHEMBL2807844

Sc1cccc(C#Cc2ccc3ccccc3n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.55
GRM5 P41594 6/20 0.51
KCNH2 Q12809 3/20 0.51
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
THPO P40225 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL12884290 0.82 TTR (0.62) TTRGRM5KCNH2ALDH1A1CYP1A2
SCHEMBL5778843 0.81 GRM5 (0.62) TTRGRM5KCNH2NPC1RAB9A
SCHEMBL2808776 0.81 TTR (0.62) TTRGRM5KCNH2NPC1RAB9A
SCHEMBL4713149 0.81 TTR (0.55) TTRGRM5KCNH2
SCHEMBL2808633 0.81 TTR (0.55) TTRGRM5KCNH2NPC1RAB9A
SCHEMBL12884286 0.79 GRM5 (0.65) TTRGRM5KCNH2NPC1RAB9A
SCHEMBL15877809 0.73 GRM5 (0.59) TTRGRM5KCNH2CYP1A2CYP3A4
SCHEMBL16979271 0.73 TTR (0.52) TTRGRM5KCNH2ALDH1A1CYP3A4
SCHEMBL484570 0.72 GRM5 (0.56) TTRGRM5KCNH2NPC1RAB9A
SCHEMBL2807656 0.72 ERN1 (0.49) GRM5NPC1RAB9A

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-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B TTR 3597/4885GRM5 2797/4885KCNH2 382/4885

“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.