SCHEMBL2431742

SCHEMBL2431742

CC(O)c1ccc(-c2cn3ccccc3n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.71
PTGS2 P35354 1/20 0.71
RAB9A P51151 12/20 0.64
NPC1 O15118 12/20 0.64
KDM4E B2RXH2 11/20 0.64
GFER P55789 3/20 0.64
POLB P06746 1/20 0.61
PKM P14618 5/20 0.61
EPHX2 P34913 1/20 0.61
HDAC6 Q9UBN7 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
GAA P10253 1/20 0.57
MIF P14174 1/20 0.57
ALDH1A1 P00352 8/20 0.57
SMN1; SMN2 Q16637 7/20 0.57
MAPK1 P28482 3/20 0.57
HPGD P15428 5/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54

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
SCHEMBL2739322 0.88 PTGS1 (0.71) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL13325909 0.84 RAB9A (0.83) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL12608963 0.83 PTGS1 (0.85) PTGS1PTGS2RAB9ANPC1KDM4E
Miroprofen SCHEMBL26767 0.83 PTGS2 (1.00) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL11822617 0.82 PTGS1 (0.79) PTGS1PTGS2RAB9ANPC1KDM4E
Miroprofen SCHEMBL11832509 0.82 PTGS2 (0.97) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL11819076 0.82 PTGS1 (0.79) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL13325938 0.82 RAB9A (0.80) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL11828285 0.82 PTGS1 (0.63) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL2431791 0.81 APP (0.62) PTGS1PTGS2RAB9ANPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1956013-B1 DIAGNOSTIC AND REMEDY FOR DISEASE CAUSED BY AMYLOID AGGREGATION AND/OR DEPOSITION FUJIFILM RI PHARMA CO LTD (JP) 2016-04-13 EP disclosed
US-8022075-B2 Diagnostic and remedy for disease caused by amyloid aggregation and/or deposition FUJIFILM RI PHARMA CO., LTD. (JP) 2011-09-20 US disclosed
US-20090162283-A1 DIAGNOSTIC AND REMEDY FOR DISEASE CAUSED BY AMYLOID AGGREGATION AND/OR DEPOSITION FUJIFILM RI PHARMA CO., LTD. (JP) 2009-06-25 US disclosed
EP-1956013-A1 DIAGNOSTIC AND REMEDY FOR DISEASE CAUSED BY AMYLOID AGGREGATION AND/OR DEPOSITION Fujifilm RI Pharma Co., Ltd. (JP) 2008-08-13 EP 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-20090162283-A1 DIAGNOSTIC AND REMEDY FOR DISEASE CAUSED BY AMYLOID AGGREGATION AND/OR DEPOSITION APP, TTR, BACE1 PTGS1 3446/4885PTGS2 4109/4885RAB9A 3111/4885

“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.