SCHEMBL21398894

SCHEMBL21398894

c1ccc(Nc2cc3c4cccc(-c5cccc(Nc6cc7sc8ccc9ccccc9c8c7c7ccccc67)c5)c4sc3c3ccccc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ CDC25B P30305 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDO2 P48775 1/20 0.34
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ MAPT P10636 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TDP1 Q9NUW8 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
SCHEMBL19656420 0.82 ALDH1A1 (0.47) ALDH1A1TP53CDC25BCYP3A4HPGD
SCHEMBL26157638 0.75 CYP1A1 (0.41) ALDH1A1TP53CDC25BCYP3A4HPGD
SCHEMBL25536381 0.73 ALOX5 (0.52) ALDH1A1TP53CDC25BCYP3A4HPGD
SCHEMBL17383145 0.73 CYP1A1 (0.44) ALDH1A1TP53CDC25BCYP3A4HPGD
SCHEMBL17742386 0.72 ALOX5 (0.51) ALDH1A1TP53CDC25BCYP3A4HPGD
SCHEMBL17383279 0.72 CYP1A1 (0.43) ALDH1A1TP53CDC25BCYP3A4HPGD
SCHEMBL23765096 0.72 ALDH1A1 (0.54) ALDH1A1TP53CDC25BCYP3A4HPGD
SCHEMBL23633742 0.71 ALDH1A1 (0.57) ALDH1A1TP53CDC25BCYP3A4HPGD
SCHEMBL17382986 0.71 ALOX5 (0.37) ALDH1A1TP53CDC25BCYP3A4HPGD
SCHEMBL17382995 0.71 ALOX5 (0.37) ALDH1A1TP53CDC25BCYP3A4HPGD

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-20190296244-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME AND ELECTRONIC DEVICE THEREFOR DUK SAN NEOLUX CO., LTD. (KR) 2019-09-26 — — 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-20190296244-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME AND ELECTRONIC DEVICE THEREFOR OR51E2, WEE2, WEE1 ALDH1A1 765/4885TP53 3276/4885CDC25B 3538/4885

“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