SCHEMBL3594256

SCHEMBL3594256

COC(=O)c1ccc(COc2nc(-c3cccs3)cc(-c3ccoc3)c2C#N)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 10/20 0.48
▸ ALDH1A1 P00352 9/20 0.48
▸ KDM4E B2RXH2 8/20 0.48
▸ MAPT P10636 5/20 0.48
▸ GLA P06280 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ NPSR1 Q6W5P4 6/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ KMT2A Q03164 9/20 0.41
▸ MEN1 O00255 8/20 0.40
▸ PPARG P37231 3/20 0.40
▸ NCOA2 Q15596 3/20 0.40
▸ NCOA1 Q15788 3/20 0.40
▸ NCOA3 Q9Y6Q9 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KAT8 Q9H7Z6 1/20 0.39
▸ POLB P06746 2/20 0.39

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
SCHEMBL3599184 0.93 HPGD (0.42) HPGDALDH1A1KDM4EMAPTGLA
SCHEMBL3592681 0.93 HPGD (0.49) HPGDALDH1A1KDM4EMAPTGLA
SCHEMBL3584306 0.89 HPGD (0.43) HPGDALDH1A1KDM4EMAPTGLA
SCHEMBL14390898 0.89 KMT2A (0.40) HPGDALDH1A1KDM4EMAPTGLA
Tromethamine SCHEMBL3584303 0.88 HPGD (0.44) HPGDALDH1A1KDM4EMAPTGLA
SCHEMBL3588354 0.88 ALDH1A1 (0.41) HPGDALDH1A1KDM4EMAPTGLA
SCHEMBL3592516 0.88 ALDH1A1 (0.46) HPGDALDH1A1KDM4EMAPTGLA
SCHEMBL3589299 0.84 KMT2A (0.45) HPGDALDH1A1KDM4EMAPTGLA
SCHEMBL3580685 0.82 PDE5A (0.48) HPGDALDH1A1KDM4EMAPTGLA
SCHEMBL13545941 0.81 ALDH1A1 (0.49) HPGDALDH1A1KDM4EMAPTGLA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 — — US disclosed
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 — — 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-20100009973-A1 Integrase Inhibitors 3 TYMP, IMPDH1, IMPDH2 HPGD 1588/4885ALDH1A1 1001/4885KDM4E 1075/4885

“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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