SCHEMBL7093738

SCHEMBL7093738

Cc1ccc(C)c(N=CC=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.45
MAPT P10636 8/20 0.40
ALDH1A1 P00352 6/20 0.40
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
POLB P06746 2/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
HTT P42858 5/20 0.39
KDM4E B2RXH2 4/20 0.39
LMNA P02545 4/20 0.39
CYP3A4 P08684 2/20 0.39
ADRA2A P08913 1/20 0.39
GAA P10253 1/20 0.39
TRPA1 O75762 1/20 0.36
TDP1 Q9NUW8 4/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 3/20 0.35
RAPGEF4 Q8WZA2 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33

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
SCHEMBL7093426 0.84 CYP3A4 (0.56) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL13590020 0.82 CYP3A4 (0.47) DHODHMAPTALDH1A1MEN1KMT2A
SCHEMBL20221393 0.80 DHODH (0.45) DHODHMAPTALDH1A1MEN1KMT2A
SCHEMBL17591503 0.78 DHODH (0.44) DHODHMAPTALDH1A1MEN1KMT2A
SCHEMBL20726017 0.77 DHODH (0.49) DHODHMAPTALDH1A1MEN1KMT2A
SCHEMBL20663205 0.75 DHODH (0.47) DHODHMAPTALDH1A1MEN1KMT2A
SCHEMBL7091919 0.75 CYP2C9 (0.52) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL24073477 0.74 CYP3A4 (0.59) DHODHMAPTALDH1A1MEN1KMT2A
SCHEMBL11856894 0.72 DHODH (0.45) DHODHMAPTALDH1A1MEN1KMT2A
SCHEMBL22991960 0.72 MAPT (0.49) DHODHMAPTALDH1A1MEN1KMT2A

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-20120295946-A1 Agents Useful for Reducing Amyloid Precursor Protein and Treating Dementia and Methods of Use Thereof National Institute of Health (NIH) 2012-11-22 US disclosed
US-8258172-B2 Agents useful for reducing amyloid precursor protein and treating dementia and methods of use thereof RAPTOR PHARMACEUTICAL CORP (US) 2012-09-04 US disclosed
US-20110021594-A1 Agents Useful for Reducing Amyloid Precursor Protein and Treating Dementia and Methods of Use Thereof Raptor Pharmaceutical Corp. 2011-01-27 US disclosed
WO-2003084662-A2 COVALENTLY FIXED LIGAND SYSTEMS, NON-METALLOCENE SYSTEMS AND CATALYST SYSTEMS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF FOR POLYMERIZING OLEFINS CELANESE VENTURES GMBH (DE) 2003-10-16 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 (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-20110021594-A1 Agents Useful for Reducing Amyloid Precursor Protein and Treating Dementia and Methods of Use Thereof APP, BACE1, PSEN1 DHODH 1388/4885MAPT 31/4885ALDH1A1 2149/4885
US-20120295946-A1 Agents Useful for Reducing Amyloid Precursor Protein and Treating Dementia and Methods of Use Thereof APP, BACE1, PSEN1 DHODH 1388/4885MAPT 31/4885ALDH1A1 2149/4885

“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.