SCHEMBL2890274

SCHEMBL2890274

CC#CCc1cccc(NC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.37
TSHR P16473 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
HTR6 P50406 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
EGFR P00533 4/20 0.31
ERBB2 P04626 3/20 0.31
MAPT P10636 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30

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
SCHEMBL24082862 0.79 ENPP2 (0.49) APPTSHRNPC1MAPT
SCHEMBL18905641 0.78 TSHR (0.48) APPTSHRRAPGEF4HTR6ROCK2
SCHEMBL27581716 0.75 ACHE (0.50) TAAR1
SCHEMBL2810466 0.75 MAOB (0.50) SIGMAR1
SCHEMBL3617649 0.74 RAPGEF4 (0.55) TSHRRAPGEF4NPC1RAB9ASMN1; SMN2
SCHEMBL27581677 0.73 TAAR1 (0.47) SMN1; SMN2TAAR1
SCHEMBL10026816 0.73 LMNA (0.39) APPTSHRRAPGEF4HTR6ROCK2
SCHEMBL2808189 0.73 ENPP2 (0.31)
SCHEMBL2809012 0.73 ENPP2 (0.50) CHRM2CHRM1CHRM3MAPTTAAR1
SCHEMBL2291506 0.72 HTR6 (0.50) APPTSHRSMN1; SMN2HTR6NOS1

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 2 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
EP-2202220-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF 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 (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-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 APP 3489/4885TSHR 4692/4885RAPGEF4 4759/4885

“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.