SCHEMBL2868935

SCHEMBL2868935

Sc1nc2ccc(NCc3ccccc3)cc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.55
PTPN11 Q06124 1/20 0.55
DHFR P00374 1/20 0.50
HDAC1 Q13547 2/20 0.49
PPARG P37231 2/20 0.48
PPARA Q07869 2/20 0.48
PPARD Q03181 1/20 0.48
ROCK2 O75116 1/20 0.48
MAP4K4 O95819 1/20 0.48
PRKCG P05129 1/20 0.48
LYN P07948 1/20 0.48
PRKACA P17612 1/20 0.48
RPS6KB1 P23443 1/20 0.48
AKT1 P31749 1/20 0.48
FLT3 P36888 1/20 0.48
CSNK1D P48730 1/20 0.48
CLK2 P49760 1/20 0.48
IRAK1 P51617 1/20 0.48
PRKX P51817 1/20 0.48
NEK4 P51957 1/20 0.48

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
SCHEMBL8347743 0.85 RAB9A (0.54) HDAC1MAPTCYP2D6HTTRAB9A
SCHEMBL8347988 0.81 PTPN11 (0.59) PTPN11HDAC1MAOBMAPTHTT
SCHEMBL3898944 0.81 PTPN1 (0.52) PTPN1PTPN11DHFRHDAC1PPARG
SCHEMBL2804015 0.79 RAB9A (0.41) MAPTRAB9ANPC1
SCHEMBL13996529 0.77 DYRK1A (0.60) PTPN1PTPN11DHFRPPARGPPARA
SCHEMBL2858603 0.77 RAB9A (0.40) PPARGPPARAPPARDMAPTHTT
SCHEMBL14160762 0.75 APP (0.36) PPARGPPARAPPARDMAPTHTT
SCHEMBL544909 0.75 ESR1 (0.39) MAPTRAB9ANPC1
SCHEMBL2861550 0.75 ILK (0.58) CYP2D6HTT
SCHEMBL5906677 0.75 APP (0.61) MAPTRAB9ANPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723366-B2 Azole compounds as malonyl-CoA decarboxylase inhibitors for treating metabolic diseases CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-05-25 US disclosed
EP-1379243-B1 METHODS FOR TREATING METABOLIC DISEASES USING MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2009-09-09 EP disclosed
US-20040082564-A1 Methods for treating metabolic diseases using malonyl-coa decarboxylase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-29 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-20040082564-A1 Methods for treating metabolic diseases using malonyl-coa decarboxylase inhibitors ME1, ME3, ME2 PTPN1 2501/4885PTPN11 3660/4885DHFR 170/4885

“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.