SCHEMBL7945044

SCHEMBL7945044

O=C(Nc1cccc(Oc2ccccc2)c1)C(Cc1ccccc1)n1sc2ccccc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.52
▸ CASP3 P42574 6/20 0.48
▸ MAPT P10636 5/20 0.44
▸ TP53 P04637 2/20 0.44
▸ MITF O75030 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HPGD P15428 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TACR2 P21452 2/20 0.41
▸ G6PD P11413 1/20 0.41
▸ CASP7 P55210 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
SCHEMBL7945993 0.91 KMT2A (0.49) RAB9ACASP3MAPTTP53POLB
SCHEMBL7940591 0.85 GAA (0.46) CASP3MAPTALDH1A1POLBMAPK1
SCHEMBL12230833 0.84 CASP3 (0.53) RAB9ACASP3MAPTTP53MITF
SCHEMBL7947585 0.77 S1PR1 (0.41) CASP3MAPTTP53KMT2ALMNA
SCHEMBL12230834 0.75 G6PD (0.74) CASP3HPGDG6PDCASP7
SCHEMBL15195144 0.74 S1PR1 (0.44) RAB9ACASP3TP53HPGDLMNA
SCHEMBL7947824 0.72 MAPT (0.77) MAPTPOLBMEN1KMT2ALMNA
SCHEMBL31217454 0.72 MAPT (0.51) RAB9ACASP3MAPTTP53ALDH1A1
SCHEMBL7938109 0.69 TACR2 (0.63) MITFALDH1A1POLBMAPK1HTT
SCHEMBL12205849 0.68 KAT2A (0.58) CASP3G6PDCASP7

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 RAB9A 2396/4885CASP3 1969/4885MAPT 608/4885

“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.

Send feedback