SCHEMBL2998809

SCHEMBL2998809

CC(=O)c1ccc2[nH]c(=O)oc2c1.Cc1cccc(C(N)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.52
NOS1 P29475 2/20 0.52
CREBBP Q92793 1/20 0.51
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
SMYD3 Q9H7B4 2/20 0.43
NOS3 P29474 1/20 0.43
NOS2 P35228 1/20 0.43
ESR1 P03372 1/20 0.42
GRM5 P41594 1/20 0.41
KIF11 P52732 1/20 0.40
MAP2K4 P45985 1/20 0.40
POLB P06746 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALPL P05186 2/20 0.38
ALPI P09923 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALPG P10696 1/20 0.38
GAA P10253 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
SCHEMBL2546849 0.83 CREBBP (0.69) NOS1CREBBPALDH1A1KDM4ESMYD3
SCHEMBL349741 0.83 CREBBP (0.65) NOS1CREBBPALDH1A1KDM4ESMYD3
Chlorzoxazone SCHEMBL3004760 0.79 NOS1 (0.59) PARP1NOS1KDM4ENOS3NOS2
SCHEMBL12798 0.72 PARP1 (1.00) PARP1POLBTDP1MEN1KMT2A
SCHEMBL13799999 0.72 PARP1 (1.00) PARP1POLBTDP1MEN1KMT2A
SCHEMBL14333454 0.72 NOS1 (0.54) PARP1NOS1CREBBPALDH1A1KDM4E
SCHEMBL1119326 0.72 NOS1 (0.59) NOS1CREBBPALDH1A1KDM4ESMYD3
SCHEMBL8698103 0.71 PSMB8 (0.59) PARP1NOS1CREBBPALDH1A1KDM4E
SCHEMBL244119 0.71 NOS1 (1.00) NOS1CREBBPALDH1A1KDM4ENOS3
SCHEMBL6647933 0.71 ALDH1A1 (0.60) NOS1CREBBPALDH1A1KDM4ESMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173961-A1 BENZOOXAZOL-2-ONE DERIVATIVES AS LIPASE AND PHOSPHOLIPASE INHIBITORS SANOFI-AVENTIS (FR) 2010-07-08 US disclosed
US-7709513-B2 Benzooxazol-2-one derivatives as lipase and phospholipase inhibitors SANOFI-AVENTIS (FR) 2010-05-04 US disclosed
US-20080167355-A1 BENZOOXAZOL-2-ONE DERIVATIVES AS LIPASE AND PHOSPHOLIPASE INHIBITORS SANOFI-AVENTIS (FR) 2008-07-10 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 (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-20080167355-A1 BENZOOXAZOL-2-ONE DERIVATIVES AS LIPASE AND PHOSPHOLIPASE INHIBITORS CEL, PNLIP, LPL PARP1 1530/4885NOS1 1305/4885CREBBP 1399/4885
US-20100173961-A1 BENZOOXAZOL-2-ONE DERIVATIVES AS LIPASE AND PHOSPHOLIPASE INHIBITORS CEL, PNLIP, LPL PARP1 1530/4885NOS1 1305/4885CREBBP 1399/4885

“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.