SCHEMBL17952524

SCHEMBL17952524

Cc1ccc(N2c3cc(C#N)ccc3N(C)[C@@H]2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ CYP2A6 P11509 1/20 0.43
▸ TDP2 O95551 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ AR P10275 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CSNK1A1 P48729 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
SCHEMBL17952498 0.87 TDP2 (0.38) TDP2CASP3HTR2AHTR2CHTR2B
SCHEMBL17952499 0.84 HTR7 (0.39) ALDH1A1CYP2A6TDP2KDM4EHPGD
SCHEMBL17952629 0.84 CASP3 (0.36) ALDH1A1CYP2A6TDP2KDM4EHPGD
SCHEMBL17952178 0.84 MAOA (0.40) ALDH1A1CYP2A6KDM4EHPGDAR
SCHEMBL17952496 0.83 ALDH1A1 (0.39) ALDH1A1CYP2A6KDM4EHPGDALOX12
SCHEMBL17952369 0.81 CASP3 (0.36) ALDH1A1CYP2A6TDP2KDM4EHPGD
SCHEMBL21688806 0.81 CASP3 (0.45) ALDH1A1CYP2A6TDP2KDM4EHPGD
SCHEMBL17952215 0.81 ALDH1A1 (0.35) ALDH1A1CYP2A6TDP2LMNA
SCHEMBL17952233 0.81 ALDH1A1 (0.35) ALDH1A1CYP2A6TDP2LMNA
SCHEMBL17952249 0.81 CASP3 (0.38) ALDH1A1CYP2A6TDP2KDM4EHPGD

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 ALDH1A1 1620/4885CYP2A6 3043/4885TDP2 1398/4885

“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.

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