SCHEMBL7940591

SCHEMBL7940591

O=C(Nc1ccccc1Oc1ccccc1)C(Cc1ccccc1)n1sc2ccccc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CASP3 P42574 3/20 0.43
▸ POLB P06746 3/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ATM Q13315 2/20 0.42
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TACR2 P21452 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ CASP7 P55210 1/20 0.39
▸ PKM P14618 1/20 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
SCHEMBL7945993 0.86 KMT2A (0.49) LMNACASP3POLBMAPTMAPK1
SCHEMBL7945044 0.85 RAB9A (0.52) LMNACASP3POLBMAPTMAPK1
SCHEMBL12205841 0.75 G6PD (0.65) GAAL3MBTL1CASP3ADRA2CMEN1
SCHEMBL15195144 0.69 S1PR1 (0.44) LMNACASP3SMN1; SMN2CASP7
SCHEMBL12230833 0.68 CASP3 (0.53) GAAL3MBTL1LMNACASP3POLB
SCHEMBL19538842 0.66 L3MBTL1 (0.76) GAAL3MBTL1LMNAPOLBADRA2C
SCHEMBL18415456 0.65 GAA (0.63) GAAL3MBTL1LMNAPOLBADRA2C
SCHEMBL10027978 0.64 ADRA2C (0.79) GAAL3MBTL1LMNAPOLBADRA2C
SCHEMBL18415528 0.64 ADRA2C (0.68) GAAL3MBTL1LMNAPOLBADRA2C
SCHEMBL10784048 0.64 ADRA2C (0.68) GAAL3MBTL1LMNAPOLBADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513295-B2 Viral and fungal inhibitors GEORGETOWN UNIVERSITY (US) 2013-08-20 — — US disclosed
US-8513295-B2 Viral and fungal inhibitors GEORGETOWN UNIVERSITY (US) 2013-08-20 — — US disclosed
US-20110301208-A1 VIRAL AND FUNGAL INHIBITORS WICHITA STATE UNIVERSITY (US) 2011-12-08 — — US disclosed
US-20110301208-A1 VIRAL AND FUNGAL INHIBITORS WICHITA STATE UNIVERSITY (US) 2011-12-08 — — US disclosed
WO-2010039534-A2 VIRAL AND FUNGAL INHIBITORS GEORGETOWN UNIVERSITY (US) 2010-04-08 — — 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-20110301208-A1 VIRAL AND FUNGAL INHIBITORS HAVCR2, ZC3HAV1, ERG28 GAA 79/4885L3MBTL1 2181/4885LMNA 4322/4885

“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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