SCHEMBL17954604

SCHEMBL17954604

N#Cc1cc(C#N)c2c(c1)-c1ccccc1C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP8 P40818 1/20 0.36
USP7 Q93009 1/20 0.36
TRPA1 O75762 3/20 0.36
SQOR Q9Y6N5 1/20 0.35
TSHR P16473 1/20 0.34
MAOA P21397 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
SRD5A2 P31213 1/20 0.33

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
SCHEMBL27610293 0.83 TSHR (0.36) PNMTNPC1RAB9AALDH1A1KDM4E
SCHEMBL1033059 0.78 TRPA1 (0.50) PNMTNPC1RAB9AALDH1A1KDM4E
SCHEMBL30940563 0.78 TRPA1 (0.50) PNMTNPC1RAB9AALDH1A1KDM4E
SCHEMBL17954605 0.78 MAOA (0.37) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL27996725 0.77 PNMT (0.42) PNMTNPC1RAB9AALDH1A1KDM4E
SCHEMBL17242315 0.77 TRPA1 (0.51) PNMTNPC1RAB9AALDH1A1KDM4E
Fluorene SCHEMBL29055454 0.75 MAOA (0.48) PNMTNPC1RAB9AALDH1A1KDM4E
SCHEMBL17954611 0.75 TRPA1 (0.38) PNMTTRPA1MAOALAP3
SCHEMBL2355804 0.73 SMN1; SMN2 (0.53) PNMTNPC1RAB9AALDH1A1KDM4E
SCHEMBL28405842 0.73 PNMT (0.49) PNMTNPC1RAB9AALDH1A1KDM4E

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 PNMT 454/4885NPC1 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.