SCHEMBL5433600

SCHEMBL5433600

NOC(=O)c1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.58
CES1 P23141 1/20 0.58
ALDH1A1 P00352 2/20 0.56
RAB9A P51151 6/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
HPGD P15428 5/20 0.54
NPC1 O15118 4/20 0.54
PKM P14618 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
GAA P10253 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
POLB P06746 2/20 0.52
MAPT P10636 2/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
MITF O75030 1/20 0.47

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
SCHEMBL679492 0.84 TSHR (0.50) ALDH1A1HPGDNPC1L3MBTL1POLB
SCHEMBL2153551 0.82 CES2 (0.62) CES2CES1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL36252 0.82 CES2 (0.62) CES2CES1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL17787536 0.80 KAT6A (0.43) CES2CES1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL29508856 0.80 CES2 (0.60) CES2CES1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1171 0.80 CES2 (0.60) CES2CES1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL13302406 0.80 CES2 (0.60) CES2CES1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL27947848 0.80 FABP4 (0.51) CES2CES1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL196555 0.78 LMNA (0.61) CES2CES1ALDH1A1SMN1; SMN2HPGD
SCHEMBL515569 0.78 CES2 (0.58) CES2CES1ALDH1A1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070265283-A1 Xanthine Oxidase Inhibitor NIPPON CHEMIPHAR CO., LTD. 2007-11-15 US disclosed
US-7253154-B2 Substituted thiazolopyrimidines as xanthine oxidase inhibitors NIPPON CHEMIPHAR CO., LTD. (JP) 2007-08-07 US disclosed
US-20050203135-A1 Antagonists for treatment of CD/11CD18 adhesion receptor mediated disorders GENENTECH, INC. 2005-09-15 US disclosed
US-20050090472-A1 Xanthine oxidase inhibitors NIPPON CHEMIPHAR CO., LTD. (JP) 2005-04-28 US disclosed
CN-1191063-C Antagonists for treatment of CD11/CD18 adhesion receptor mediated disorders GENENTECH INC (US) 2005-03-02 CN disclosed
EP-1114046-A1 INTERLEUKIN-5 INHIBITING 6-AZAURACIL DERIVATIVES Janssen Pharmaceutica N.V. (BE) 2001-07-11 EP disclosed
CN-1295471-A Antagonists for treatment of CD11/CD18 adhesion receptor mediated disorders GENENTECH INC (US) 2001-05-16 CN disclosed
WO-2000017195-A1 INTERLEUKIN-5 INHIBITING 6-AZAURACIL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2000-03-30 WO disclosed
EP-0804440-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1997-11-05 EP disclosed
EP-0804420-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1997-11-05 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 (3 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-20050203135-A1 Antagonists for treatment of CD/11CD18 adhesion receptor mediated disorders VCAM1, CD58, ITGB8 CES2 3028/4885CES1 2074/4885ALDH1A1 280/4885
US-20050090472-A1 Xanthine oxidase inhibitors XDH, CBR1, NOX1 CES2 176/4885CES1 87/4885ALDH1A1 706/4885
US-20070265283-A1 Xanthine Oxidase Inhibitor XDH, CBR1, NOX1 CES2 177/4885CES1 86/4885ALDH1A1 671/4885

“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.