SCHEMBL20845242

SCHEMBL20845242

C1=C\c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2-c2ccc3ccccc3c2Sc2ccccc2-c2ccccc2/1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPC1 O15118 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL20845056 0.99 MAPT (0.34) SMN1; SMN2KDM4EALDH1A1TP53HSD17B10
SCHEMBL20845238 0.97 KDM4E (0.32) SMN1; SMN2KDM4EALDH1A1TP53HSD17B10
SCHEMBL20845240 0.97 KDM4E (0.34) SMN1; SMN2KDM4EALDH1A1TP53HSD17B10
SCHEMBL20845333 0.96 KDM4E (0.33) SMN1; SMN2KDM4EALDH1A1TP53HSD17B10
SCHEMBL20845092 0.93 HPGD (0.34) SMN1; SMN2KDM4EALDH1A1TP53HSD17B10
SCHEMBL20845249 0.92 RAB9A (0.37) SMN1; SMN2KDM4EALDH1A1TP53HSD17B10
SCHEMBL20845250 0.92 ALDH1A1 (0.36) SMN1; SMN2KDM4EALDH1A1TP53HSD17B10
SCHEMBL20222636 0.89 MEN1 (0.37) SMN1; SMN2KDM4EALDH1A1TP53HSD17B10
SCHEMBL20845091 0.88 MAPT (0.33) SMN1; SMN2ALDH1A1MAPTHPGDNFKB1
SCHEMBL20222626 0.87 MAPT (0.36) SMN1; SMN2KDM4EALDH1A1TP53HSD17B10

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 SMN1; SMN2 3160/4885KDM4E 631/4885ALDH1A1 981/4885

“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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