SCHEMBL22866145

SCHEMBL22866145

c1ccc2c(c1)c1ccccc1p2-p1c2cnccc2c2ccncc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ HPGD P15428 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ IDO1 P14902 2/20 0.45
▸ MAOA P21397 2/20 0.45
▸ MAOB P27338 2/20 0.45
▸ GABRP O00591 1/20 0.45
▸ GABRD O14764 1/20 0.45
▸ IKBKB O14920 1/20 0.45
▸ AURKA O14965 1/20 0.45
▸ CHUK O15111 1/20 0.45
▸ PIM1 P11309 1/20 0.45
▸ TOP1 P11387 1/20 0.45
▸ GABRA1 P14867 1/20 0.45
▸ GABRB1 P18505 1/20 0.45
▸ GABRG2 P18507 1/20 0.45
▸ GABRB3 P28472 1/20 0.45
▸ GABRA5 P31644 1/20 0.45
▸ GABRA3 P34903 1/20 0.45

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
SCHEMBL21428102 1.00 KDM4E (0.45) KDM4EALDH1A1HPGDSMN1; SMN2IDO1
SCHEMBL22866146 1.00 KDM4E (0.45) KDM4EALDH1A1HPGDSMN1; SMN2IDO1
SCHEMBL21427709 0.89 ACHE (0.44) KDM4EALDH1A1HPGDSMN1; SMN2IDO1
SCHEMBL21427720 0.89 ACHE (0.44) KDM4EALDH1A1HPGDSMN1; SMN2IDO1
SCHEMBL21427702 0.89 ACHE (0.44) KDM4EALDH1A1HPGDSMN1; SMN2IDO1
SCHEMBL21427775 0.88 ALDH1A1 (0.39) KDM4EALDH1A1HPGDSMN1; SMN2IDO1
SCHEMBL22866367 0.78 CYP11B1 (0.38) KDM4EALDH1A1HPGDSMN1; SMN2IDO1
SCHEMBL22866368 0.78 MAPT (0.37) KDM4EALDH1A1HPGDSMN1; SMN2IDO1
SCHEMBL21427701 0.75 ACHE (0.37) KDM4EALDH1A1HPGDSMN1; SMN2IDO1
SCHEMBL21427703 0.73 HSP90AA1 (0.46) KDM4EALDH1A1SMN1; SMN2IDO1PARP1

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-20210002310-A1 PHOSPHAVIOLOGEN DERIVATIVES, METHODS OF MAKING THE SAME, AND USES THEREOF BAUMGARTNER THOMAS (CA) 2021-01-07 — — 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-20210002310-A1 PHOSPHAVIOLOGEN DERIVATIVES, METHODS OF MAKING THE SAME, AND USES THEREOF CDS2, PLCG2, PHOSPHO1 KDM4E 1131/4885ALDH1A1 4020/4885HPGD 1646/4885

“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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