SCHEMBL569976

SCHEMBL569976

Cc1sc(NC(=O)CN(Cc2ccccc2)C(=O)c2ccccc2)c(C(N)=O)c1C

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.82
LMNA P02545 4/20 0.77
SMN1; SMN2 Q16637 3/20 0.77
KDM4E B2RXH2 2/20 0.76
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HTT P42858 2/20 0.54
RECQL P46063 1/20 0.54
MAPT P10636 4/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
AIP O00170 1/20 0.51
SGTA O43765 1/20 0.51
TOMM70 O94826 1/20 0.51
STIP1 P31948 1/20 0.51
PPP5C P53041 1/20 0.51

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
SCHEMBL10042805 0.93 LMNA (0.74) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL10042806 0.87 ALDH1A1 (0.63) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL7003055 0.75 AIP (0.74) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL18180597 0.70 L3MBTL1 (0.66) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL13126361 0.70 MAPK8 (0.65) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL8012604 0.69 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2KDM4EMAPTRAB9A
SCHEMBL31541275 0.69 ALDH1A1 (1.00) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL7005515 0.68 L3MBTL1 (0.65) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL14825129 0.68 ALDH1A1 (0.64) ALDH1A1LMNASMN1; SMN2KDM4EHTT
SCHEMBL13126363 0.68 MAPK8 (1.00) ALDH1A1LMNASMN1; 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-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
EP-2601191-A2 COMPOUNDS AND COMPOSITIONS FOR MITIGATING TISSUE DAMAGE AND LETHALITY The Regents of the University of California (US) 2013-06-12 EP 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 (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-20130231518-A1 COMPOUNDS AND COMPOSITIONS FOR MITIGATING TISSUE DAMAGE AND LETHALITY CASP3, L3MBTL4, L3MBTL3 ALDH1A1 955/4885LMNA 260/4885SMN1; SMN2 215/4885

“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.