SCHEMBL16689174

SCHEMBL16689174

CC1CCc2c(sc(NC(=O)c3cnccn3)c2C#N)C1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.71
RAB9A P51151 8/20 0.71
MAPT P10636 7/20 0.71
KDM4E B2RXH2 6/20 0.71
SMN1; SMN2 Q16637 5/20 0.71
HPGD P15428 3/20 0.71
LMNA P02545 2/20 0.71
POLB P06746 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
NPC1 O15118 7/20 0.67
KMT2A Q03164 3/20 0.62
HSD17B10 Q99714 3/20 0.62
MEN1 O00255 2/20 0.62
RECQL P46063 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.61
TP53 P04637 1/20 0.60
ALOX15 P16050 1/20 0.57
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.55

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
SCHEMBL16689136 0.84 GCGR (0.66) ALDH1A1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL15281386 0.83 ALDH1A1 (1.00) ALDH1A1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL15426134 0.82 ALDH1A1 (0.69) ALDH1A1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL15281367 0.82 ALDH1A1 (0.98) ALDH1A1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL3923750 0.78 ALDH1A1 (0.71) ALDH1A1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL5804275 0.77 ALDH1A1 (0.69) ALDH1A1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL15281366 0.77 RORC (0.64) ALDH1A1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL15281362 0.76 KMT2A (0.71) ALDH1A1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL2650404 0.75 GCGR (0.72) ALDH1A1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL5804059 0.74 ALDH1A1 (0.69) ALDH1A1RAB9AMAPTKDM4ESMN1; SMN2

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-20170305899-A1 ANTIBIOTIC COMPOUNDS AND COMPOSITIONS, AND METHODS FOR IDENTIFICATION THEREOF HUTCHINSON FRED CANCER RES (US) 2017-10-26 US disclosed
US-20170305899-A1 ANTIBIOTIC COMPOUNDS AND COMPOSITIONS, AND METHODS FOR IDENTIFICATION THEREOF HUTCHINSON FRED CANCER RES (US) 2017-10-26 US disclosed
US-20150126519-A1 ANTIBIOTIC COMPOUNDS AND COMPOSITIONS, AND METHODS FOR IDENTIFICATION THEREOF NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-05-07 US disclosed
US-20150126519-A1 ANTIBIOTIC COMPOUNDS AND COMPOSITIONS, AND METHODS FOR IDENTIFICATION THEREOF NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-05-07 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-20170305899-A1 ANTIBIOTIC COMPOUNDS AND COMPOSITIONS, AND METHODS FOR IDENTIFICATION THEREOF BLM, DNA2, DCLRE1B ALDH1A1 2061/4885RAB9A 2030/4885MAPT 3731/4885
US-20150126519-A1 ANTIBIOTIC COMPOUNDS AND COMPOSITIONS, AND METHODS FOR IDENTIFICATION THEREOF BLM, DNA2, DCLRE1B ALDH1A1 2061/4885RAB9A 2030/4885MAPT 3731/4885

“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.