SCHEMBL5111259

SCHEMBL5111259

O=C(O)c1ccc(-n2ccc3c(=O)[nH]ccc32)c(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 1/20 0.37
GRIA1 P42261 4/20 0.37
GRIA2 P42262 4/20 0.37
GRIA3 P42263 4/20 0.37
GRIA4 P48058 4/20 0.37
GRIK1 P39086 2/20 0.37
GRIK2 Q13002 2/20 0.37
GRIK3 Q13003 2/20 0.37
GRIK4 Q16099 2/20 0.37
GRIK5 Q16478 2/20 0.37
RORC P51449 5/20 0.36
CYP2C9 P11712 2/20 0.36
TTR P02766 2/20 0.35
PARP1 P09874 1/20 0.34
CSF1R P07333 2/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 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
SCHEMBL5100984 0.80 HCAR1 (0.38) ADH5RORCCYP2C9TTRALDH1A1
SCHEMBL8323009 0.72 HSD17B10 (0.42) CYP2C9PARP1ALDH1A1HSD17B10CYP3A4
SCHEMBL27635758 0.69 TTR (0.47) ADH5GRIA1GRIA2GRIA3GRIA4
SCHEMBL3528958 0.67 KDM4E (0.51) ADH5RORCCYP2C9TTRCSF1R
SCHEMBL6840252 0.67 TTR (0.52) RORCCYP2C9TTRKDM4E
SCHEMBL3531980 0.66 ADH5 (0.66) ADH5CYP2C9ALDH1A1CYP3A4CYP2C19
SCHEMBL30220047 0.65 DDB1 (0.44) CYP2C9PARP1KDM4EALDH1A1HPGD
SCHEMBL3526351 0.65 TTR (0.59) TTRKDM4EHSD17B10
SCHEMBL580653 0.64 TTR (0.55) TTRKDM4EALDH1A1HSD17B10CYP3A4
SCHEMBL30991450 0.64 PDE3B (0.47) ADH5RORCCYP2C9TTRALDH1A1

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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US disclosed
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 ADH5 354/4885GRIA1 1610/4885GRIA2 2184/4885

“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.