SCHEMBL12846984

SCHEMBL12846984

COC(=O)C(=O)c1cc(Oc2ccc(F)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.47
HSPB1 P04792 2/20 0.47
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
BRAF P15056 1/20 0.41
HDAC1 Q13547 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TTR P02766 1/20 0.41
PPOX P50336 1/20 0.41
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
AR P10275 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GCK P35557 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
AKR1B10 O60218 1/20 0.39

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
SCHEMBL2424186 0.87 TDP1 (0.61) TDP1HSPB1CRHBPCRHR2BRAF
SCHEMBL12846983 0.86 TDP1 (0.49) TDP1MEN1KMT2ATTRLMNA
SCHEMBL12789525 0.84 HSPB1 (0.51) TDP1HSPB1CRHBPCRHR2BRAF
SCHEMBL3890179 0.82 TDP1 (0.56) TDP1HSPB1CRHBPCRHR2MEN1
SCHEMBL1025529 0.81 TDP1 (0.56) TDP1HSPB1CRHBPCRHR2BRAF
SCHEMBL13564438 0.81 HSPB1 (0.48) TDP1HSPB1CRHBPCRHR2BRAF
SCHEMBL12846985 0.79 BRAF (0.56) BRAFHDAC1MEN1KMT2AHTT
SCHEMBL13715272 0.78 SMN1; SMN2 (0.44) TDP1HSPB1CRHBPCRHR2BRAF
SCHEMBL10784720 0.78 TDP1 (0.70) TDP1MEN1KMT2ATTRPPOX
SCHEMBL13715181 0.77 MEN1 (0.43) TDP1HSPB1BRAFHDAC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS MERCK SHARP & DOHME CORP. 2011-03-17 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-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS GPR119, GPR39, GPR65 TDP1 4309/4885HSPB1 1210/4885CRHBP 1145/4885

“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.