SCHEMBL1028481

SCHEMBL1028481

CC(C)(C)OC(=O)c1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 2/20 0.41
SIRT6 Q8N6T7 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRA6 Q16445 1/20 0.40
TTR P02766 1/20 0.40
KCNMA1 Q12791 1/20 0.39
AR P10275 3/20 0.38
DTYMK P23919 1/20 0.38

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
SCHEMBL592368 0.88 ATM (0.44) TDP1ATMMAPTALDH1A1GABRA1
SCHEMBL9747677 0.84 EGFR (0.43) TDP1MAPTSIRT6ALDH1A1DTYMK
SCHEMBL557153 0.84 VCAM1 (0.46) TDP1ATMMAPTSIRT6ALDH1A1
SCHEMBL31548078 0.83 SIRT6 (0.56) TDP1ATMSMN1; SMN2MAPTSIRT6
SCHEMBL137523 0.83 SIRT6 (0.56) TDP1ATMSMN1; SMN2MAPTSIRT6
SCHEMBL8767674 0.82 TDP1 (0.47) TDP1MAPTSIRT6ALDH1A1DTYMK
SCHEMBL30032292 0.82 MAPT (0.41) TDP1SMN1; SMN2MAPTSIRT6ALDH1A1
SCHEMBL1186362 0.82 TDP1 (0.52) TDP1SMN1; SMN2MAPTALDH1A1
SCHEMBL27834938 0.81 ATM (0.41) TDP1ATMSMN1; SMN2MAPTALDH1A1
SCHEMBL19782588 0.81 TDP1 (0.48) TDP1SMN1; SMN2MAPTSIRT6ALDH1A1

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
EP-2373626-B1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2016-08-24 EP disclosed
US-8354399-B2 Substituted indazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-01-15 US disclosed
US-20110281843-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-11-17 US disclosed
US-20110071197-A1 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS BIOLIPOX AB (LV) 2011-03-24 US disclosed
EP-2274280-A2 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS Biolipox AB (SE) 2011-01-19 EP disclosed
WO-2009127822-A2 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS BIOLIPOX AB (SE) 2009-10-22 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 (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-20110071197-A1 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS LTC4S, LTB4R2, LTB4R TDP1 4176/4885ATM 4529/4885SMN1; SMN2 4779/4885
US-20110281843-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K19, MAP3K3, MAP3K5 TDP1 1928/4885ATM 226/4885SMN1; SMN2 3441/4885

“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.