SCHEMBL20845100

SCHEMBL20845100

C1=C\c2ccc(-c3cc(-c4cccnc4)nc(-c4ccccc4)n3)cc2-c2cc3oc4ccccc4c3cc2Sc2ccccc2-c2ccccc2/1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 3/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MAPT P10636 7/20 0.34
▸ ALDH1A1 P00352 7/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ RAB9A P51151 4/20 0.34
▸ TSHR P16473 4/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ HPGD P15428 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ CYP19A1 P11511 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ SMN1; SMN2 Q16637 5/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ ALOX12 P18054 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
SCHEMBL20845336 0.97 GAA (0.36) CYP2C9CYP1A2CYP3A4GAACYP2C19
SCHEMBL20845183 0.97 DHODH (0.36) CYP2C9CYP1A2CYP3A4GAACYP2C19
SCHEMBL20845079 0.97 DHODH (0.36) CYP2C9CYP1A2CYP3A4GAACYP2C19
SCHEMBL20845337 0.97 ALDH1A1 (0.36) CYP2C9CYP1A2CYP3A4GAACYP2C19
SCHEMBL20845076 0.96 CYP1A2 (0.34) CYP2C9CYP1A2CYP3A4GAACYP2C19
SCHEMBL20845339 0.95 DHODH (0.37) CYP2C9CYP1A2CYP3A4GAACYP2C19
SCHEMBL20845077 0.94 CYP3A4 (0.34) CYP2C9CYP1A2CYP3A4GAACYP2C19
SCHEMBL20845340 0.94 GAA (0.34) CYP2C9CYP1A2CYP3A4GAACYP2C19
SCHEMBL20845187 0.93 ALDH1A1 (0.35) CYP2C9CYP1A2CYP3A4GAACYP2C19
SCHEMBL20845097 0.92 KMT2A (0.33) MAPTALDH1A1KDM4EHPGDMEN1

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-20190092745-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2019-03-28 — — 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-20190092745-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME SCO2, AOX1, ORC3 CYP2C9 173/4885CYP1A2 444/4885CYP3A4 400/4885

“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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