SCHEMBL373248

SCHEMBL373248

OCc1ccc(-c2nc(-c3ccc4c(c3)OCO4)c(-c3ccccn3)[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 12/20 1.00
ACVR1B P36896 3/20 0.74
MAPT P10636 3/20 0.72
ALDH1A1 P00352 3/20 0.72
HPGD P15428 3/20 0.72
TDP1 Q9NUW8 3/20 0.72
CSNK1A1 P48729 2/20 0.72
CSNK1D P48730 2/20 0.72
CSNK1E P49674 2/20 0.72
KDM4E B2RXH2 2/20 0.72
RIPK2 O43353 2/20 0.72
PRKD3 O94806 1/20 0.72
CYP1A2 P05177 1/20 0.72
CYP3A4 P08684 1/20 0.72
CYP2D6 P10635 1/20 0.72
MAPK1 P28482 1/20 0.72
CYP2C19 P33261 1/20 0.72
TGFBR2 P37173 1/20 0.72
RPS6KA1 Q15418 1/20 0.72
CSNK1A1L Q8N752 1/20 0.72

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
SCHEMBL28825919 0.89 TGFBR1 (0.82) TGFBR1ACVR1BMAPTALDH1A1HPGD
SCHEMBL5139175 0.89 TGFBR1 (0.79) TGFBR1ACVR1BMAPTALDH1A1HPGD
SCHEMBL7590309 0.85 TGFBR1 (0.78) TGFBR1ACVR1BMAPTALDH1A1HPGD
SCHEMBL373558 0.85 TGFBR1 (1.00) TGFBR1ACVR1BMAPTALDH1A1HPGD
SCHEMBL23352241 0.84 TGFBR1 (0.73) TGFBR1ACVR1BMAPTALDH1A1HPGD
SCHEMBL2617116 0.84 TGFBR1 (0.84) TGFBR1ACVR1BMAPTALDH1A1HPGD
SCHEMBL19961487 0.84 TGFBR1 (0.82) TGFBR1ACVR1BMAPTALDH1A1HPGD
SCHEMBL6475046 0.84 TGFBR1 (0.84) TGFBR1ACVR1BMAPTALDH1A1HPGD
Sb-431542 SCHEMBL310028 0.84 TGFBR1 (1.00) TGFBR1ACVR1BMAPTALDH1A1HPGD
Sb-431542 SCHEMBL29381798 0.84 TGFBR1 (1.00) TGFBR1ACVR1BMAPTALDH1A1HPGD

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-20220249680-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES SYNTHIS THERAPEUTICS, INC. (US) 2022-08-11 US disclosed
US-8871744-B2 Compounds and methods for selectively targeting tumor-associated mucins B & G Partyers, LLC (US) 2014-10-28 US disclosed
US-20120022016-A1 Compounds and methods for selectively targeting tumor-associated mucins B&G PARTNERS, LLC 2012-01-26 US disclosed
EP-2409708-A1 Compounds and methods for selectively targeting tumor-associated mucins B & G Partners, LLC (US) 2012-01-25 EP 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 (2 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-20220249680-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES ALK, ALKBH5, ALKBH3 TGFBR1 528/4885ACVR1B 33/4885MAPT 2702/4885
US-20120022016-A1 Compounds and methods for selectively targeting tumor-associated mucins MUC1, NEU4, ALK TGFBR1 1324/4885ACVR1B 205/4885MAPT 4076/4885

“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.