SCHEMBL20845079

SCHEMBL20845079

C1=C\c2ccc(-c3cc(-c4ccc(-c5cccnc5)cc4)nc(-c4ccccc4)n3)cc2-c2cc3oc4ccccc4c3cc2Sc2ccccc2-c2ccccc2/1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.36
▸ GAA P10253 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ALDH1A1 P00352 6/20 0.33
▸ MAPT P10636 6/20 0.33
▸ TSHR P16473 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP19A1 P11511 1/20 0.32
▸ KDM4E B2RXH2 5/20 0.32
▸ RAB9A P51151 4/20 0.32
▸ SMN1; SMN2 Q16637 4/20 0.32
▸ HSD17B10 Q99714 3/20 0.32
▸ HPGD P15428 3/20 0.32
▸ NPC1 O15118 3/20 0.32
▸ TP53 P04637 2/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 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
SCHEMBL20845183 1.00 DHODH (0.36) DHODHGAACYP1A2CYP3A4CYP2C9
SCHEMBL20845339 0.98 DHODH (0.37) DHODHGAACYP1A2CYP3A4CYP2C9
SCHEMBL20845100 0.97 CYP2C9 (0.36) DHODHGAACYP1A2CYP3A4CYP2C9
SCHEMBL20845337 0.97 ALDH1A1 (0.36) DHODHGAACYP1A2CYP3A4CYP2C9
SCHEMBL20845336 0.96 GAA (0.36) DHODHGAACYP1A2CYP3A4CYP2C9
SCHEMBL20845187 0.95 ALDH1A1 (0.35) DHODHGAACYP1A2CYP3A4CYP2C9
SCHEMBL20845076 0.93 CYP1A2 (0.34) DHODHGAACYP1A2CYP3A4CYP2C9
SCHEMBL20845097 0.92 KMT2A (0.33) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL20845077 0.92 CYP3A4 (0.34) DHODHGAACYP1A2CYP3A4CYP2C9
SCHEMBL20845340 0.92 GAA (0.34) DHODHGAACYP1A2CYP3A4CYP2C9

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 DHODH 1763/4885GAA 3743/4885CYP1A2 444/4885

“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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