SCHEMBL5420966

SCHEMBL5420966

CC(C)c1[c]c(C(C)C)cc(OCc2ccncc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
CYP27B1 O15528 2/20 0.39
CYP24A1 Q07973 2/20 0.39
MAOA P21397 1/20 0.39
RORC P51449 1/20 0.38
ADAMTS4 O75173 1/20 0.38
MMP13 P45452 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
TLR4 O00206 1/20 0.37
TLR2 O60603 1/20 0.37
ABCB1 P08183 1/20 0.36
F2 P00734 1/20 0.36
ABL1 P00519 1/20 0.36

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
SCHEMBL5426949 0.82 GPR132 (0.47) MAOAADAMTS4MAPK1IKBKB
SCHEMBL22305118 0.78 NOS3 (0.50) MAOBNOS3NOS1NOS2MAOA
SCHEMBL24301674 0.71 SMN1; SMN2 (0.43) MAOBNOS3NOS1NOS2CYP27B1
SCHEMBL840881 0.70 MAPT (0.46) SMN1; SMN2
SCHEMBL169752 0.68 MAOB (0.54) MAOBNOS3NOS1NOS2CYP27B1
SCHEMBL694419 0.68 F2 (0.45) MAOBNOS3NOS1NOS2CYP27B1
SCHEMBL18745401 0.68 NOS3 (0.49) MAOBNOS3NOS1NOS2CYP27B1
SCHEMBL7245835 0.68 NOS3 (0.46) MAOBNOS3NOS1NOS2CYP27B1
SCHEMBL14464039 0.68 CYP27B1 (0.51) MAOBCYP27B1CYP24A1ADAMTS4MMP13
SCHEMBL4858769 0.68 PLK1 (0.48) MAOBNOS3NOS1NOS2SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099891-A1 Medicinal compositions and combinations DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-03 US disclosed
EP-1695706-A1 MEDICINAL COMPOSITIONS AND COMBINATIONS Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-08-30 EP disclosed
US-6420381-B1 ACYL-COA: CHOLESTEROL ACYL TRANSFERASE (ACAT) INHIBITORY ACTIVITY, AND IS USEFUL AS AN AGENT FOR TREATMENT OF HYPERLIPIDEMIA AND ATHEROSCLEROSIS. SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-07-16 US disclosed
EP-1104763-A1 NAPHTHYRIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-06-06 EP 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-20070099891-A1 Medicinal compositions and combinations HMGCR, APOB, CYP46A1 MAOB 211/4885NOS3 398/4885NOS1 659/4885

“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.