SCHEMBL2813014

SCHEMBL2813014

CCCCCCCCCCCCC#Cc1cccc(N)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.51
TSHR P16473 1/20 0.47
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
MMP2 P08253 1/20 0.43
MMP12 P39900 1/20 0.43
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
ASIC3 Q9UHC3 1/20 0.41
GGPS1 O95749 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39
PRKCE Q02156 1/20 0.39
PRKCD Q05655 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
SCHEMBL3684156 1.00 KCNH2 (0.51) KCNH2TSHRFFAR1FFAR4MMP2
SCHEMBL2809245 0.93 DRD2 (0.44) KCNH2TSHRFFAR1DRD2DRD3
SCHEMBL23426194 0.86 CYP2D6 (0.47) TSHRFFAR1DRD2DRD3ASIC3
SCHEMBL13564091 0.81 KCNH2 (0.51) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL6726038 0.81 KCNH2 (0.51) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL2811355 0.81 KCNH2 (0.51) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL23034066 0.81 KCNH2 (0.51) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL10751820 0.81 KCNH2 (0.51) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL22748420 0.81 KCNH2 (0.51) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL2815299 0.81 KCNH2 (0.51) KCNH2FFAR1FFAR4MMP2MMP12

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
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 US disclosed
US-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 EP 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 (2 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 KCNH2 382/4885TSHR 3644/4885FFAR1 3015/4885
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 KCNH2 3430/4885TSHR 4692/4885FFAR1 3769/4885

“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.