SCHEMBL16127484

SCHEMBL16127484

Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(C#N)cc(C#N)cc1C#N

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CYP2A6 P11509 1/20 0.38
MAOA P21397 5/20 0.35
MAOB P27338 4/20 0.35
NT5E P21589 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ELANE P08246 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
IMPDH2 P12268 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
USP14 P54578 1/20 0.31

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
SCHEMBL22140537 0.87 MAOA (0.35) ALDH1A1MAOAMAOBNT5ELMNA
SCHEMBL16127590 0.87 MAOA (0.38) ALDH1A1MAOAMAOBL3MBTL1SMN1; SMN2
SCHEMBL20309469 0.85 PTGDR2 (0.38) ALDH1A1CYP2A6MAOAMAOBELANE
SCHEMBL20061235 0.84 ALDH1A1 (0.38) ALDH1A1CYP2A6NT5EUSP14
SCHEMBL17570592 0.83 MAOA (0.41) ALDH1A1CYP2A6MAOAMAOBNT5E
SCHEMBL17570661 0.82 MAOA (0.36) ALDH1A1MAOAMAOBNT5EELANE
SCHEMBL24416669 0.81 ALDH1A1 (0.44) ALDH1A1CYP2A6USP14
SCHEMBL16127492 0.81 KIF11 (0.41)
SCHEMBL24241423 0.81 IMPDH2 (0.39) ALDH1A1L3MBTL1ELANELMNAHTT
SCHEMBL21426622 0.80 MAOA (0.33) MAOAMAOBLMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3375785-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-08-05 EP disclosed
US-10193079-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2019-01-29 US disclosed
EP-2976329-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-06-27 EP disclosed
US-20160072076-A1 MATERIALS FOR ELECTRONIC DEVICES UDC IRELAND LIMITED (IE) 2016-03-10 US disclosed
WO-2014146752-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2014-09-25 WO 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-20160072076-A1 MATERIALS FOR ELECTRONIC DEVICES AOC3, AOC2, AOC1 ALDH1A1 545/4885CYP2A6 1649/4885MAOA 34/4885
US-10193079-B2 Materials for electronic devices AOC3, AOC2, AOC1 ALDH1A1 545/4885CYP2A6 1649/4885MAOA 34/4885

“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.