SCHEMBL10175655

SCHEMBL10175655

CNc1ccccc1NCC(=O)Nc1ccccc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
MAPT P10636 4/20 0.59
HPGD P15428 8/20 0.57
ALOX12 P18054 1/20 0.57
MAPK1 P28482 3/20 0.56
TP53 P04637 1/20 0.56
GAA P10253 1/20 0.56
ALOX15 P16050 1/20 0.56
KMT2A Q03164 1/20 0.56
NOTUM Q6P988 1/20 0.55
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53

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
SCHEMBL6716893 0.82 HPGD (0.61) ALDH1A1MAPTHPGDALOX12MAPK1
SCHEMBL23227599 0.80 HPGD (0.64) ALDH1A1MAPTHPGDALOX12MAPK1
SCHEMBL6716890 0.79 NOTUM (0.72) ALDH1A1MAPTHPGDALOX12MAPK1
SCHEMBL29528561 0.79 RAB9A (0.73) ALDH1A1MAPTHPGDALOX12MAPK1
SCHEMBL2005846 0.79 RAB9A (0.73) ALDH1A1MAPTHPGDALOX12MAPK1
SCHEMBL29193536 0.78 KMT2A (0.59) ALDH1A1MAPTHPGDGAAKMT2A
SCHEMBL24743426 0.78 GAA (0.62) ALDH1A1MAPTHPGDALOX12MAPK1
SCHEMBL20509405 0.77 HPGD (0.46) ALDH1A1HPGDALOX12MAPK1KMT2A
SCHEMBL6715569 0.76 ALDH1A1 (0.53) ALDH1A1MAPTHPGDALOX12MAPK1
SCHEMBL5892350 0.75 HPGD (0.68) ALDH1A1MAPTHPGDALOX12MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101096-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections University of Georgia Foundation, Inc. (US) 2012-04-26 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 (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-20120101096-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 ALDH1A1 45/4885MAPT 4129/4885HPGD 35/4885

“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.