SCHEMBL17853528

SCHEMBL17853528

c1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)cc(-c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.43
▸ CYP19A1 P11511 1/20 0.40
▸ ABCG2 Q9UNQ0 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KCNA5 P22460 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ USP1 O94782 5/20 0.37
▸ WDR48 Q8TAF3 5/20 0.37
▸ CYP1A2 P05177 3/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ CLK4 Q9HAZ1 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL26432148 0.93 DHODH (0.41) DHODHCYP19A1ABCG2MAPTUSP1
SCHEMBL17853525 0.90 MAPT (0.43) DHODHABCG2MAPTKCNA5KCNH2
SCHEMBL24810943 0.90 MAPT (0.43) MAPTCYP1A2CYP3A4ALDH1A1CYP2C9
SCHEMBL17714849 0.89 MAPT (0.42) MAPTCYP1A2CYP3A4ALDH1A1CYP2C9
SCHEMBL17714759 0.89 MAPT (0.42) MAPTCYP1A2CYP3A4ALDH1A1CYP2C9
SCHEMBL17853518 0.88 DHODH (0.44) DHODHCYP19A1ABCG2MAPTUSP1
SCHEMBL22249647 0.88 MAPT (0.40) MAPTCYP1A2CYP3A4ALDH1A1CYP2C9
SCHEMBL17714842 0.87 MEN1 (0.40) MAPTALDH1A1CYP2C19MEN1GLA
SCHEMBL24753864 0.87 MAPT (0.39) MAPTCYP1A2CYP3A4ALDH1A1CYP2C9
SCHEMBL24788937 0.87 MAPT (0.36) DHODHCYP19A1ABCG2MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 — — US disclosed
US-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 — — 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-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE LEF1, PIEZO1, SLC39A11 DHODH 3921/4885CYP19A1 482/4885ABCG2 4206/4885

“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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