SCHEMBL10107741

SCHEMBL10107741

Cc1cccc(C(F)(F)F)c1C(=O)NCc1ccc2c(c1)OCO2

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 1/20 0.65
TP53 P04637 1/20 0.61
CRHBP P24387 1/20 0.61
RECQL P46063 1/20 0.61
CRHR2 Q13324 1/20 0.61
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
LMNA P02545 2/20 0.59
MAPK1 P28482 2/20 0.59
MMP13 P45452 1/20 0.59
HPGD P15428 4/20 0.57
NPC1 O15118 1/20 0.57
TDP1 Q9NUW8 2/20 0.57
TSHR P16473 3/20 0.56
GAA P10253 1/20 0.54
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 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
SCHEMBL10120105 0.92 ALDH2 (0.72) ALDH2TP53CRHBPRECQLCRHR2
SCHEMBL10107753 0.89 ALDH2 (0.73) ALDH2TP53CRHBPRECQLCRHR2
SCHEMBL10107738 0.85 TP53 (0.68) ALDH2TP53CRHBPRECQLCRHR2
SCHEMBL10107735 0.82 HPGD (0.65) ALDH2TP53CRHBPRECQLCRHR2
SCHEMBL1394364 0.79 TP53 (0.76) ALDH2TP53CRHBPRECQLCRHR2
SCHEMBL503808 0.79 ALDH2 (1.00) ALDH2TP53CRHBPRECQLCRHR2
SCHEMBL13435821 0.79 TP53 (0.61) ALDH2TP53CRHBPRECQLCRHR2
SCHEMBL13435815 0.78 ALDH2 (0.61) ALDH2TP53CRHBPRECQLCRHR2
SCHEMBL20830056 0.78 HPGD (0.72) TP53MEN1KMT2ALMNAMAPK1
SCHEMBL16994124 0.77 ALDH2 (0.77) ALDH2TP53CRHBPRECQLCRHR2

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-9315484-B2 Mitochondrial aldehyde dehydrogenase-2 modulators and methods of use thereof The Board of Trustees—Leland Stanford Junior University (US) 2016-04-19 US disclosed
US-9273025-B2 2016-03-01 US disclosed
US-9102651-B2 Mitochondrial aldehyde dehydrogenase-2 modulators and methods of use thereof The Board of Trustees-Leland Stanford Junior University (US) 2015-08-11 US disclosed
US-20150105456-A1 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2015-04-16 US disclosed
US-20120010248-A1 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-01-12 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-20150105456-A1 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof ALDH2, ALDH5A1, AK2 ALDH2 1/4885TP53 2919/4885CRHBP 3568/4885
US-20120010248-A1 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof ALDH2, ALDH5A1, AK2 ALDH2 1/4885TP53 2919/4885CRHBP 3568/4885

“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.