SCHEMBL6004541

SCHEMBL6004541

Cc1[c]c(-c2ccc(F)cc2)no1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.39
PTGS1 P23219 1/20 0.39
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
ACHE P22303 1/20 0.34
TDO2 P48775 1/20 0.34
GPR55 Q9Y2T6 1/20 0.33
CXCR1 P25024 1/20 0.33
MAPK10 P53779 1/20 0.33
MAPK14 Q16539 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33

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
SCHEMBL3940018 0.81 NR1H4 (0.42) NPC1RAB9ASMN1; SMN2KMT2AGPBAR1
SCHEMBL4970805 0.80 CYP17A1 (0.37) NPC1RAB9ATP53KMT2A
SCHEMBL314833 0.80 BRD4 (0.47) PTGS2PTGS1NPC1RAB9AKMT2A
SCHEMBL27936742 0.79 TP53 (0.41) NPC1RAB9ASMN1; SMN2TP53ACHE
SCHEMBL26977353 0.77 MAPK14 (0.40) PTGS2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL8800725 0.74 CYP17A1 (0.46) PTGS2PTGS1NPC1RAB9ASMN1; SMN2
SCHEMBL9936299 0.73 HSD11B1 (0.36) PTGS2PTGS1NPC1RAB9ATP53
SCHEMBL10404277 0.71 KIF11 (0.35) PTGS2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL11593511 0.68 PTGS1 (0.51) PTGS2PTGS1NPC1RAB9ASMN1; SMN2
SCHEMBL16404607 0.67 BRD4 (0.66) PTGS2PTGS1TP53LMNAGPR55

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
EP-2792360-A1 (1aR,12bS)-8-cyclohexyl-11-fluoro-N-((1-methylcyclopropyl)sulfonyl)-1a-((3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl)carbonyl)-1,1a,2,2b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide for use in treating HCV IP Gesellschaft für Management mbH (DE) 2014-10-22 EP disclosed
CN-103889971-A Solid forms of (1, L-dioxo-4-thiomorpholinyl) - [6- [ [3 (4-fluorophenyl) -5-methyl-4-isoxazolyl ] methoxy ] -3-pyridine ] -methanone HOFFMANN LA ROCHE 2014-06-25 CN disclosed
EP-2451808-B1 PYRIDAZINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2014-03-26 EP disclosed
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 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 (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-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders MAPK1, MAP3K1, MAPK4 PTGS2 1030/4885PTGS1 561/4885NPC1 1832/4885

“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.