SCHEMBL20845327

SCHEMBL20845327

C1=C\c2ccc(-c3cc(-c4ccccc4)nc(-c4cccnc4)n3)cc2-c2ccccc2Sc2ccccc2-c2ccccc2/1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.43
▸ MAPT P10636 6/20 0.43
▸ TSHR P16473 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ CYP19A1 P11511 2/20 0.40
▸ KDM4E B2RXH2 6/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 7/20 0.39
▸ HPGD P15428 6/20 0.39
▸ RAB9A P51151 5/20 0.39
▸ NPC1 O15118 5/20 0.39
▸ TP53 P04637 4/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ AHR P35869 1/20 0.36

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
SCHEMBL20845002 0.96 CYP19A1 (0.41) ALDH1A1MAPTTSHRPOLBCYP19A1
SCHEMBL20845326 0.96 CYP19A1 (0.41) ALDH1A1MAPTTSHRPOLBCYP19A1
SCHEMBL20845246 0.96 CYP19A1 (0.43) ALDH1A1MAPTTSHRPOLBCYP19A1
SCHEMBL20845007 0.96 CYP19A1 (0.43) ALDH1A1MAPTTSHRPOLBCYP19A1
SCHEMBL20845330 0.94 CYP19A1 (0.42) ALDH1A1MAPTTSHRPOLBCYP19A1
SCHEMBL20845329 0.94 ALDH1A1 (0.38) ALDH1A1MAPTTSHRPOLBCYP19A1
SCHEMBL20845237 0.91 CYP19A1 (0.39) ALDH1A1MAPTTSHRPOLBCYP19A1
SCHEMBL20845138 0.90 MEN1 (0.44) ALDH1A1MAPTKDM4EGLASMN1; SMN2
SCHEMBL20845239 0.88 MEN1 (0.42) ALDH1A1MAPTKDM4EGLASMN1; SMN2
SCHEMBL20845324 0.88 ALDH1A1 (0.41) ALDH1A1MAPTTSHRPOLBCYP19A1

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 ALDH1A1 981/4885MAPT 4294/4885TSHR 765/4885

“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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