SCHEMBL3342348

SCHEMBL3342348

COc1ccc(-n2cnc3cc(Nc4nnc(C)c5ccccc45)ccc32)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.65
MAPT P10636 8/20 0.56
ALDH1A1 P00352 5/20 0.56
HPGD P15428 5/20 0.56
HTT P42858 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 4/20 0.54
FGFR1 P11362 2/20 0.53
ALOX12 P18054 1/20 0.52
KDR P35968 1/20 0.52
KDM4E B2RXH2 4/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
AKR1C3 P42330 1/20 0.46
RAD52 P43351 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL12135737 0.91 GAA (0.64) GAAMAPTALDH1A1HPGDHTT
SCHEMBL2307301 0.90 FGFR1 (0.60) GAAMAPTALDH1A1HPGDHTT
SCHEMBL3340328 0.90 FGFR1 (0.60) GAAMAPTALDH1A1HPGDHTT
SCHEMBL12135729 0.90 MAPT (0.56) GAAMAPTALDH1A1HPGDHTT
SCHEMBL12135730 0.89 GAA (0.70) GAAMAPTALDH1A1HPGDHTT
SCHEMBL2308483 0.89 GAA (0.73) GAAMAPTALDH1A1HPGDHTT
Hydrochloric Acid SCHEMBL2309577 0.88 GAA (0.71) GAAMAPTALDH1A1HPGDHTT
SCHEMBL2308486 0.88 GAA (0.67) GAAMAPTALDH1A1HPGDHTT
SCHEMBL13304847 0.88 GAA (0.67) GAAMAPTALDH1A1HPGDHTT
SCHEMBL2308695 0.88 GAA (0.59) GAAMAPTALDH1A1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012217-B2 Benzimidazole compounds differentiate a mammalian stem cell into mesodermal or cardiomyocyte cells BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2015-04-21 US disclosed
US-9012217-B2 Benzimidazole compounds differentiate a mammalian stem cell into mesodermal or cardiomyocyte cells BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2015-04-21 US disclosed
US-9012217-B2 Benzimidazole compounds differentiate a mammalian stem cell into mesodermal or cardiomyocyte cells BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2015-04-21 US disclosed
US-20110281356-A1 COMPOUNDS FOR STEM CELL DIFFERENTIATION HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2011-11-17 US disclosed
US-20110281356-A1 COMPOUNDS FOR STEM CELL DIFFERENTIATION HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2011-11-17 US disclosed
US-20100159596-A1 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-06-24 US disclosed
US-20100159596-A1 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-06-24 US disclosed
US-20100159596-A1 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-06-24 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 (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-20110281356-A1 COMPOUNDS FOR STEM CELL DIFFERENTIATION MCL1, NES, RUNX1 GAA 2681/4885MAPT 4127/4885ALDH1A1 48/4885
US-20100159596-A1 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION RCOR3, BRD3, BRPF3 GAA 4544/4885MAPT 4666/4885ALDH1A1 454/4885

“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.