SCHEMBL10042805

SCHEMBL10042805

Cc1sc(NC(=O)CN(Cc2ccc(F)cc2)C(=O)c2ccccc2)c(C(N)=O)c1C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.74
ALDH1A1 P00352 12/20 0.71
SMN1; SMN2 Q16637 3/20 0.68
KDM4E B2RXH2 3/20 0.67
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 4/20 0.50
GAA P10253 2/20 0.50
POLB P06746 1/20 0.50
PPARG P37231 1/20 0.50
NCOA2 Q15596 1/20 0.50
NCOA1 Q15788 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
HTT P42858 2/20 0.48
RECQL P46063 1/20 0.48
HPGD P15428 4/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL569976 0.93 ALDH1A1 (0.82) LMNAALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL10042806 0.83 ALDH1A1 (0.63) LMNAALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL7003055 0.71 AIP (0.74) LMNAALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL10042833 0.71 ALDH1A1 (0.43) LMNAALDH1A1MEN1KMT2ARAB9A
SCHEMBL18180597 0.69 L3MBTL1 (0.66) LMNAALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL13126361 0.68 MAPK8 (0.65) LMNAALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL7005515 0.67 L3MBTL1 (0.65) LMNAALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL12231196 0.67 LIMK2 (0.52) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8289662 0.67 ALDH1A1 (0.68) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL8288650 0.66 ALDH1A1 (0.68) LMNAALDH1A1SMN1; SMN2KDM4EMEN1

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-20160030404-A1 Therapeutic Agents and Methods for the Treatment of DNA Repair Deficiency Disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-04 US disclosed
US-9045474-B2 Compounds and compositions for mitigating tissue damage and lethality THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-06-02 US disclosed
US-20130231518-A1 COMPOUNDS AND COMPOSITIONS FOR MITIGATING TISSUE DAMAGE AND LETHALITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-09-05 US disclosed
WO-2012018932-A2 COMPOUNDS AND COMPOSITIONS FOR MITIGATING TISSUE DAMAGE AND LETHALITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-09 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-20130231518-A1 COMPOUNDS AND COMPOSITIONS FOR MITIGATING TISSUE DAMAGE AND LETHALITY CASP3, L3MBTL4, L3MBTL3 LMNA 260/4885ALDH1A1 955/4885SMN1; SMN2 215/4885
US-20160030404-A1 Therapeutic Agents and Methods for the Treatment of DNA Repair Deficiency Disorders OGG1, ERCC4, UNG LMNA 425/4885ALDH1A1 675/4885SMN1; SMN2 765/4885

“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.