SCHEMBL5028779

SCHEMBL5028779

Cc1ccccc1-n1c(S)nc2ccccc2c1=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.73
LMNA P02545 2/20 0.73
L3MBTL1 Q9Y468 1/20 0.73
SMN1; SMN2 Q16637 2/20 0.60
HTT P42858 2/20 0.59
GAA P10253 1/20 0.59
PKM P14618 1/20 0.59
PDE7A Q13946 2/20 0.57
MAPT P10636 6/20 0.56
TP53 P04637 2/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
JUN P05412 2/20 0.54
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
PDE10A Q9Y233 1/20 0.54
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
NPC1 O15118 1/20 0.52

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
Methaqualone SCHEMBL29355239 0.84 ALDH1A1 (1.00) ALDH1A1LMNAL3MBTL1SMN1; SMN2HTT
Methaqualone SCHEMBL43892 0.84 ALDH1A1 (1.00) ALDH1A1LMNAL3MBTL1SMN1; SMN2HTT
Methaqualone SCHEMBL20471677 0.84 ALDH1A1 (1.00) ALDH1A1LMNAL3MBTL1SMN1; SMN2HTT
Methaqualone SCHEMBL29386732 0.84 ALDH1A1 (1.00) ALDH1A1LMNAL3MBTL1SMN1; SMN2HTT
SCHEMBL1129120 0.84 ALDH1A1 (0.54) ALDH1A1LMNAL3MBTL1SMN1; SMN2HTT
Methaqualone SCHEMBL3500629 0.83 ALDH1A1 (0.97) ALDH1A1LMNAL3MBTL1SMN1; SMN2HTT
Methaqualone SCHEMBL29849847 0.83 ALDH1A1 (0.97) ALDH1A1LMNAL3MBTL1SMN1; SMN2HTT
SCHEMBL9670692 0.83 LMNA (0.58) ALDH1A1LMNAL3MBTL1SMN1; SMN2HTT
SCHEMBL22736781 0.82 ALDH1A1 (0.74) ALDH1A1LMNAL3MBTL1SMN1; SMN2HTT
SCHEMBL5028796 0.82 LMNA (0.57) ALDH1A1LMNAL3MBTL1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005051974-A2 NOVEL MOLECULES FOR REGULATING CELL DEATH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-06-09 WO claimed
US-20050038051-A1 Novel molecules for regulating cell death NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-02-17 US claimed
US-8450333-B2 Molecules for regulating cell death THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-28 US disclosed
US-8450333-B2 Molecules for regulating cell death THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-28 US disclosed
US-8450333-B2 Molecules for regulating cell death THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-28 US disclosed
US-20080287473-A1 NOVEL MOLECULES FOR REGULATING CELL DEATH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-11-20 US disclosed
US-20080287473-A1 NOVEL MOLECULES FOR REGULATING CELL DEATH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-11-20 US disclosed
US-20080287473-A1 NOVEL MOLECULES FOR REGULATING CELL DEATH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-11-20 US disclosed
WO-2005051974-A2 NOVEL MOLECULES FOR REGULATING CELL DEATH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-06-09 WO disclosed
US-20050038051-A1 Novel molecules for regulating cell death NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-02-17 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-20080287473-A1 NOVEL MOLECULES FOR REGULATING CELL DEATH AIFM1, BAX, HSPE1 ALDH1A1 4015/4885LMNA 1467/4885L3MBTL1 421/4885
US-20050038051-A1 Novel molecules for regulating cell death AIFM1, BAX, HSPE1 ALDH1A1 4015/4885LMNA 1467/4885L3MBTL1 421/4885

“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.