SCHEMBL17954607

SCHEMBL17954607

N#Cc1cc2c(cc1C#N)-c1ccccc1C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
USP8 P40818 1/20 0.47
USP7 Q93009 1/20 0.47
SRD5A2 P31213 1/20 0.43
MAOA P21397 2/20 0.42
CYP1A2 P05177 4/20 0.41
CYP3A4 P08684 3/20 0.41
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
ADRA2A P08913 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
PGR P06401 2/20 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
SCHEMBL23968973 0.85 USP8 (0.39) ALDH1A1SMN1; SMN2KDM4ELMNAMAPT
Fluorene SCHEMBL29055454 0.84 MAOA (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL17242315 0.81 TRPA1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5058433 0.79 SMN1; SMN2 (0.64) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5016641 0.79 SMN1; SMN2 (0.64) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL18582934 0.79 SMN1; SMN2 (0.64) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL30912172 0.79 SMN1; SMN2 (0.64) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL31441011 0.77 SMN1; SMN2 (0.53) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2355804 0.77 SMN1; SMN2 (0.53) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL29924230 0.77 SMN1; SMN2 (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E

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-20160218300-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2016-07-28 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-20160218300-A1 Organic Electroluminescent Materials and Devices OCIAD2, OCIAD1, OSBP ALDH1A1 1734/4885NPC1 220/4885RAB9A 2880/4885

“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.