SCHEMBL17952178

SCHEMBL17952178

Cc1ccc(N2c3cc(C#N)c(C#N)cc3N(C)[C@@H]2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.40
▸ MAOB P27338 4/20 0.40
▸ LMNA P02545 2/20 0.36
▸ ALDH1A1 P00352 7/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ NT5E P21589 1/20 0.33
▸ KDM4E B2RXH2 5/20 0.33
▸ GAA P10253 4/20 0.33
▸ MAPT P10636 4/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ HPGD P15428 3/20 0.32
▸ CASP1 P29466 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32

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
SCHEMBL17952260 0.85 ALDH1A1 (0.34) MAOAMAOBLMNAALDH1A1KDM4E
SCHEMBL17952179 0.84 KMT2A (0.43) LMNAALDH1A1KDM4EGAAMAPT
SCHEMBL17952206 0.84 ALDH1A1 (0.40) MAOAMAOBLMNAALDH1A1KDM4E
SCHEMBL17952524 0.84 ALDH1A1 (0.43) LMNAALDH1A1CYP2A6KDM4EGAA
SCHEMBL17952622 0.82 NPSR1 (0.36) MAOAMAOBLMNAALDH1A1CYP2A6
SCHEMBL17952212 0.82 KDM4E (0.36) MAOAMAOBLMNAALDH1A1CYP2A6
SCHEMBL17952233 0.82 ALDH1A1 (0.35) MAOAMAOBLMNAALDH1A1CYP2A6
SCHEMBL17952215 0.82 ALDH1A1 (0.35) MAOAMAOBLMNAALDH1A1CYP2A6
SCHEMBL17952324 0.82 MEN1 (0.30) KMT2AMEN1
SCHEMBL17952275 0.79 KDM4E (0.35) MAOAMAOBLMNAALDH1A1KDM4E

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-20160218303-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 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-20160218303-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OSBP2 MAOA 438/4885MAOB 574/4885LMNA 2707/4885

“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.

Send feedback