SCHEMBL16123041

SCHEMBL16123041

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
ATM Q13315 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.43
TTR P02766 1/20 0.42
ALDH1A1 P00352 6/20 0.42
HTT P42858 2/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.42
CES2 O00748 1/20 0.42
ABCB11 O95342 1/20 0.42
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
AR P10275 1/20 0.42
CHRM1 P11229 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
TBXA2R P21731 1/20 0.42

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
SCHEMBL22064874 0.87 TDP1 (0.47) TDP1ATMSMN1; SMN2TTRALDH1A1
SCHEMBL13564438 0.84 HSPB1 (0.48) TDP1ATMSMN1; SMN2TTRALDH1A1
SCHEMBL2718272 0.84 ATM (0.49) TDP1ATMSMN1; SMN2TTRALDH1A1
SCHEMBL4647431 0.81 TDP1 (0.56) TDP1ATMTTRALDH1A1TSHR
SCHEMBL20202522 0.81 TSHR (0.51) TDP1SMN1; SMN2ALDH1A1HTTTSHR
SCHEMBL1668445 0.80 ALDH1A1 (0.51) TDP1ATMSMN1; SMN2ALDH1A1HTT
SCHEMBL357813 0.80 DTYMK (0.62) TDP1ATMTTRALDH1A1TSHR
SCHEMBL16953719 0.80 ATM (0.58) TDP1ATMTTRALDH1A1TSHR
SCHEMBL22065496 0.78 ALDH1A1 (0.49) TDP1SMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL1667732 0.78 TDP1 (0.56) TDP1ATMSMN1; SMN2TTRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 US disclosed
WO-2014149164-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-09-25 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 (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-20150376208-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 TDP1 3334/4885ATM 1171/4885SMN1; SMN2 4098/4885

“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.