SCHEMBL8251328

SCHEMBL8251328

NC(=O)CSc1nc2ccccc2[nH]1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.77
LMNA P02545 1/20 0.74
SMN1; SMN2 Q16637 5/20 0.66
HPGD P15428 1/20 0.66
BCHE P06276 1/20 0.65
NPC1 O15118 5/20 0.64
RAB9A P51151 5/20 0.64
POLB P06746 4/20 0.64
TDP1 Q9NUW8 2/20 0.64
NR4A1 P22736 1/20 0.64
HSD17B10 Q99714 1/20 0.63
EPHX2 P34913 1/20 0.62
MEN1 O00255 1/20 0.61
HTT P42858 1/20 0.61
ALPL P05186 1/20 0.61
ALPG P10696 1/20 0.61
GCGR P47871 1/20 0.61
MPO P05164 1/20 0.60
ALDH1A1 P00352 1/20 0.60
MAPT P10636 1/20 0.60

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
SCHEMBL14304382 0.89 KMT2A (0.79) KMT2ALMNASMN1; SMN2HPGDBCHE
SCHEMBL29770390 0.87 KMT2A (1.00) KMT2ALMNASMN1; SMN2HPGDBCHE
SCHEMBL3515244 0.87 KMT2A (1.00) KMT2ALMNASMN1; SMN2HPGDBCHE
SCHEMBL10643825 0.86 LMNA (0.86) KMT2ALMNASMN1; SMN2BCHENPC1
SCHEMBL8797365 0.86 KMT2A (0.75) KMT2ASMN1; SMN2HPGDBCHENPC1
SCHEMBL15474114 0.86 KMT2A (0.75) KMT2ALMNASMN1; SMN2HPGDBCHE
SCHEMBL2924427 0.86 SMN1; SMN2 (0.73) KMT2ALMNASMN1; SMN2HPGDBCHE
SCHEMBL9379490 0.85 KMT2A (0.69) KMT2ALMNAPOLBTDP1MPO
SCHEMBL4673914 0.84 KMT2A (0.78) KMT2ALMNASMN1; SMN2HPGDBCHE
SCHEMBL10762447 0.84 KMT2A (0.73) KMT2ALMNASMN1; SMN2HPGDBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245231-A1 ACTIVE SUBSTANCE AND PHARMACEUTICAL COMPOSITION FOR TREATING ALCOHOL DEPENDENCE, AND A METHOD FOR OBTAINING AND THE USE OF SAID ACTIVE SUBSTANCE ALLA CHEM, LLC (US) 2011-10-06 US disclosed
US-20110245231-A1 ACTIVE SUBSTANCE AND PHARMACEUTICAL COMPOSITION FOR TREATING ALCOHOL DEPENDENCE, AND A METHOD FOR OBTAINING AND THE USE OF SAID ACTIVE SUBSTANCE ALLA CHEM, LLC (US) 2011-10-06 US disclosed
WO-2010074607-A2 ACTIVE SUBSTANCE AND PHARMACEUTICAL COMPOSITION FOR TREATING ALCOHOL DEPENDENCE, AND A METHOD FOR OBTAINING AND THE USE OF SAID ACTIVE SUBSTANCE АЛЛА XEM, ЛЛС (US) 2010-07-01 WO disclosed
WO-2006127550-A1 PROLINE BIS-AMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-11-30 WO disclosed
US-4719036-A PAINTS; METAL WORKING CIBA-GEIGY CORPORATION (US) 1988-01-12 US disclosed
US-4329363-A Substituted mercapto acid amides and their use MERCK & CO., INC. (US) 1982-05-11 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 (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-20110245231-A1 ACTIVE SUBSTANCE AND PHARMACEUTICAL COMPOSITION FOR TREATING ALCOHOL DEPENDENCE, AND A METHOD FOR OBTAINING AND THE USE OF SAID ACTIVE SUBSTANCE ADH1C, ADH1A, ADH5 KMT2A 1858/4885LMNA 2718/4885SMN1; SMN2 3094/4885

“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.