SCHEMBL1929494

SCHEMBL1929494

COC(=O)c1cc(SCCc2ccccc2)c[nH]1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
GAA P10253 1/20 0.56
MMP2 P08253 1/20 0.47
HDAC1 Q13547 1/20 0.44
BAZ2B Q9UIF8 1/20 0.43
BAZ2A Q9UIF9 1/20 0.43
MCL1 Q07820 2/20 0.43
BCL2A1 Q16548 2/20 0.43
DAO P14920 2/20 0.41
RAB9A P51151 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL1929964 0.84 MCL1 (0.51) MEN1KMT2AGAAHDAC1MCL1
SCHEMBL1149734 0.81 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AGAAMMP2
SCHEMBL1149821 0.76 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AGAAMMP2
SCHEMBL1149553 0.72 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AGAABAZ2B
SCHEMBL18151921 0.72 MCL1 (0.73) ALDH1A1GAAHDAC1MCL1BCL2A1
SCHEMBL18152530 0.72 MCL1 (0.61) ALDH1A1GAAHDAC1MCL1BCL2A1
SCHEMBL22548698 0.72 MEN1 (0.47) ALDH1A1MEN1KMT2AGAAHDAC1
SCHEMBL20570156 0.71 DAO (0.76) DAO
SCHEMBL10943967 0.71 DAO (0.61) GAAMCL1BCL2A1DAORAB9A
SCHEMBL29668460 0.70 KMT2A (0.66) ALDH1A1MEN1KMT2AGAADAO

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-7956049-B2 Melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-07 US disclosed
US-20090221548-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2009-09-03 US disclosed
US-7553836-B2 7-(4-Chlorophenyl)-2-(3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one trifluoroacetic acid salt; obesity; antidiabetic agents; antidepressants; anxiolytic agents; combination with antipsychotic drugs enhanced therayp for schizophrenic disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-30 US disclosed
EP-1987039-A2 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Brystol-Myers Squibb Company (US) 2008-11-05 EP disclosed
WO-2007092416-A2 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
US-20070185097-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 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-20090221548-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R ALDH1A1 446/4885MEN1 422/4885KMT2A 947/4885
US-20070185097-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R ALDH1A1 446/4885MEN1 422/4885KMT2A 947/4885

“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.