SCHEMBL5333367

SCHEMBL5333367

CC(C)CSc1ccccc1Br

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.72
MAOB P27338 2/20 0.72
HTR7 P34969 1/20 0.52
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
LMNA P02545 2/20 0.41
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.33
PRNP P04156 1/20 0.32
VCP P55072 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL23269520 0.79 MAOA (0.61) MAOAMAOBHTR7CA1CA2
SCHEMBL5153339 0.79 MAOA (0.61) MAOAMAOBHTR7CA1CA2
SCHEMBL3802466 0.77 KMT2A (0.52) MAOAMAOBRAB9ASMN1; SMN2MAPT
SCHEMBL29296553 0.77 ALDH1A1 (0.49) MAOAMAOBHTR7LMNARAB9A
SCHEMBL7479177 0.76 MAOA (0.57) MAOAMAOBHTR7CA1CA2
SCHEMBL1802193 0.76 HTR7 (0.57) MAOAMAOBHTR7CA1CA2
SCHEMBL20067971 0.75 P4HB (0.46) MAOAMAOBCA2CA4LMNA
SCHEMBL29296736 0.75 BACE1 (0.43) MAOAMAOBLMNARAB9ASMN1; SMN2
SCHEMBL29324813 0.75 MAOA (0.43) MAOAMAOBCA1CA2LMNA
SCHEMBL13143422 0.75 BACE1 (0.47) MAOAMAOBLMNARAB9ASMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11225480-B2 Malic enzyme inhibitors SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-01-18 US disclosed
US-20210115038-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2021-04-22 US disclosed
EP-3495359-A1 FLAP MODULATORS Janssen Pharmaceutica NV (BE) 2019-06-12 EP disclosed
EP-3070085-B1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-01-09 EP disclosed
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
EP-1368340-B1 PIPERAZINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS LILLY CO ELI (US) 2005-08-10 EP disclosed
US-20040092507-A1 Melanocortin receptor agonists ELI LILLY AND COMPANY 2004-05-13 US disclosed
EP-1368340-A1 PIPERAZINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-12-10 EP disclosed
WO-2002059108-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 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 (3 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-20040092507-A1 Melanocortin receptor agonists MC1R, MC4R, MC5R MAOA 442/4885MAOB 525/4885HTR7 125/4885
US-20210115038-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 MAOA 2012/4885MAOB 1994/4885HTR7 4857/4885
US-11225480-B2 Malic enzyme inhibitors ME1, RNASE1, ME2 MAOA 2295/4885MAOB 2175/4885HTR7 4865/4885

“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.