SCHEMBL330948

SCHEMBL330948

CC(=O)Oc1ccc(Br)cc1C(=O)Nc1nc(C(C)(C)C)c[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HSD17B10 Q99714 2/20 0.44
GFER P55789 1/20 0.44
POLB P06746 2/20 0.42
STAT3 P40763 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 4/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NPSR1 Q6W5P4 3/20 0.40
HTT P42858 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 2/20 0.40

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
SCHEMBL332058 0.79 NPC1 (0.55) ALDH1A1SMN1; SMN2MAPTHSD17B10POLB
SCHEMBL330269 0.74 MAPT (0.49) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9
SCHEMBL330453 0.70 MEN1 (0.46) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9
SCHEMBL13449742 0.70 LMNA (0.40) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL16707252 0.69 TMPRSS4 (0.67) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9
SCHEMBL16707262 0.68 TMPRSS4 (0.61) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9
SCHEMBL13055779 0.68 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9
SCHEMBL789388 0.68 PTGDR2 (0.63) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9
SCHEMBL25027 0.68 CFD (0.73) ALDH1A1CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL1603859 0.67 HSD17B10 (0.58) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9

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
US-8263657-B2 Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-09-11 US disclosed
US-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 US disclosed
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 US disclosed
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-07-30 US disclosed
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-12-25 US disclosed
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-10-09 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 (4 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-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A ALDH1A1 479/4885SMN1; SMN2 4852/4885MAPT 1849/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A ALDH1A1 563/4885SMN1; SMN2 4859/4885MAPT 2086/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A ALDH1A1 563/4885SMN1; SMN2 4859/4885MAPT 2086/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A ALDH1A1 563/4885SMN1; SMN2 4859/4885MAPT 2086/4885

“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.