SCHEMBL19344971

SCHEMBL19344971

CC1c2ccccc2N(c2ccc(C#N)cc2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.41
POLB P06746 1/20 0.41
PGR P06401 5/20 0.40
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.35
CYP2A6 P11509 1/20 0.35
NR1H3 Q13133 1/20 0.35
BRD4 O60885 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL19345023 0.95 HRH3 (0.40) ELANEPOLBPGRBRD4HRH3
SCHEMBL19344951 0.85 FADS1 (0.36) TSHRALDH1A1BRD4
SCHEMBL19344976 0.85 HRH3 (0.34) PGRBRD4HRH3
SCHEMBL19344998 0.83 STS (0.41) PGR
SCHEMBL19345072 0.83 PGR (0.35) PGR
SCHEMBL17883188 0.82 TSHR (0.50) ELANEPOLBPGRTSHRALDH1A1
SCHEMBL31324965 0.82 TSHR (0.50) ELANEPOLBPGRTSHRALDH1A1
SCHEMBL19340270 0.81 FADS1 (0.32) PGRALDH1A1BRD4
SCHEMBL19344943 0.81 TSHR (0.39) ELANEPOLBPGRTSHRALDH1A1
SCHEMBL31657761 0.80 MAOA (0.40) ELANEPOLBALDH1A1MAOAHRH3

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-20170263871-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC OPTOELECTRONIC DEVICE TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2017-09-14 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-20170263871-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC OPTOELECTRONIC DEVICE OR10J3, RPS10, OR51E2 ELANE 487/4885POLB 3436/4885PGR 1448/4885

“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.