SCHEMBL3586498

SCHEMBL3586498

COc1cccc(-c2cc(-c3ccoc3)c(C#N)c(OCc3ccc(C(=O)O)cc3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 3/20 0.49
▸ KDM4E B2RXH2 6/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ HPGD P15428 5/20 0.44
▸ MAPT P10636 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ PPARD Q03181 1/20 0.43
▸ GLA P06280 2/20 0.43
▸ GAA P10253 2/20 0.42
▸ THRB P10828 1/20 0.41
▸ VDR P11473 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
Tromethamine SCHEMBL3593648 0.94 SQOR (0.46) SQORKDM4EALDH1A1HPGDMAPT
SCHEMBL3595104 0.92 SQOR (0.46) SQORKDM4EALDH1A1HPGDMAPT
SCHEMBL3593650 0.86 SQOR (0.43) SQORKDM4EALDH1A1HPGDMAPT
SCHEMBL3583516 0.83 SQOR (0.46) SQORKDM4EALDH1A1HPGDMAPT
SCHEMBL3592445 0.82 SQOR (0.47) SQORKDM4EALDH1A1HPGDMAPT
SCHEMBL3580685 0.81 PDE5A (0.48) SQORKDM4EALDH1A1HPGDMAPT
SCHEMBL3590309 0.79 SQOR (0.44) SQORALDH1A1HPGD
SCHEMBL3585039 0.78 SQOR (0.46) SQORKDM4EHPGDMAPTSMN1; SMN2
Tromethamine SCHEMBL3584251 0.78 SQOR (0.43) SQORKDM4EALDH1A1HPGDMAPT
SCHEMBL13545945 0.76 SQOR (0.42) SQORLMNASMN1; SMN2

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 4 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
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 — — US disclosed
WO-2007124546-A1 INTEGRASE INHIBITORS 3 AVEXA LIMITED (AU) 2007-11-08 — — WO 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 SQOR 3669/4885KDM4E 1075/4885ALDH1A1 1001/4885

“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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