SCHEMBL2185041

SCHEMBL2185041

N#Cc1cc(O)c2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
XDH P47989 1/20 0.52
SLC22A12 Q96S37 1/20 0.52
TRPM4 Q8TD43 1/20 0.52
CYP1A2 P05177 2/20 0.45
PTPN11 Q06124 1/20 0.45
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
KMT2A Q03164 1/20 0.42
PTPN1 P18031 1/20 0.41

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
SCHEMBL9097694 0.80 NQO2 (0.55) NQO2CA1CA2XDHSLC22A12
SCHEMBL7035021 0.80 NQO2 (0.55) NQO2CA1CA2XDHSLC22A12
SCHEMBL4959376 0.78 PLAU (0.53) CA1CA2CYP1A2ARSOS2
SCHEMBL29482237 0.78 CA1 (0.56) CA1CA2XDHSLC22A12CYP1A2
SCHEMBL7304752 0.78 CA1 (0.61) CA1CA2XDHSLC22A12CYP1A2
SCHEMBL819485 0.78 CA1 (0.56) CA1CA2XDHSLC22A12CYP1A2
SCHEMBL28497136 0.77 CYP1A2 (0.61) NQO2CA1CA2TRPM4CYP1A2
SCHEMBL2769773 0.77 CA1 (0.51) CA1CA2XDHSLC22A12TRPM4
SCHEMBL23087600 0.76 CA1 (0.59) CA1CA2XDHSLC22A12CYP1A2
SCHEMBL4078176 0.76 CA1 (0.55) CA1CA2XDHSLC22A12CYP1A2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2343279-B1 FUSED-RING DERIVATIVE AND MEDICAL APPLICATION OF SAME KISSEI PHARMACEUTICAL (JP) 2018-02-28 EP disclosed
WO-2015013456-A1 INDICATOR COMPOUNDS, POLYMERIZABLE DERIVATIVES THEREOF AND INFECTION INDICATING MEDICAL DEVICES COMPRISING THE SAME INDICATOR SYSTEMS INTERNATIONAL, INC. (US) 2015-01-29 WO disclosed
EP-1871844-B1 BUBBLE COMPOSITION WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2014-08-27 EP disclosed
CN-102186824-B Fused-ring derivative and medical application of same KISSEI PHARMACEUTICAL 2014-03-12 CN disclosed
US-8263622-B2 Fused-ring derivative and medical application of same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 US disclosed
US-8263622-B2 Fused-ring derivative and medical application of same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 US disclosed
CN-102186824-A Fused-ring derivative and medical application of same KISSEI PHARMACEUTICAL 2011-09-14 CN disclosed
US-20110207935-A1 FUSED-RING DERIVATIVE AND MEDICAL APPLICATION OF SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-08-25 US disclosed
US-20110207935-A1 FUSED-RING DERIVATIVE AND MEDICAL APPLICATION OF SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-08-25 US disclosed
EP-2343279-A1 FUSED-RING DERIVATIVE AND MEDICAL APPLICATION OF SAME Kissei Pharmaceutical Co., Ltd. (JP) 2011-07-13 EP disclosed
US-20060257439-A1 Cleansing compositions with color changing indicator CRAYOLA LLC 2006-11-16 US disclosed
US-20060236470-A1 Novelty compositions with color changing indicator CRAYOLA LLC 2006-10-26 US disclosed
WO-2006105193-A2 PERSONAL CARE COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
WO-2006105260-A1 ORAL CARE COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
WO-2006105261-A1 CLEANSING COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
WO-2006105191-A2 NOVELTY COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
US-20060222601-A1 Oral care compositions with color changing indicator C2C TECHNOLOGIES, LLC 2006-10-05 US disclosed
US-20060222675-A1 Personal care compositions with color changing indicator C2C TECHNOLOGIES, LLC 2006-10-05 US disclosed
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 US disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 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 (5 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-20060222675-A1 Personal care compositions with color changing indicator CUTA, POLR1C, TYR NQO2 4/4885CA1 1814/4885CA2 253/4885
US-20110207935-A1 FUSED-RING DERIVATIVE AND MEDICAL APPLICATION OF SAME XDH, OAT, PON1 NQO2 190/4885CA1 1528/4885CA2 1326/4885
US-20060257439-A1 Cleansing compositions with color changing indicator WASHC5, WASHC4, FHIT NQO2 23/4885CA1 139/4885CA2 30/4885
US-20060222601-A1 Oral care compositions with color changing indicator CA9, CA7, TAS2R7 NQO2 54/4885CA1 70/4885CA2 29/4885
US-20060236470-A1 Novelty compositions with color changing indicator MITF, CRABP2, SHH NQO2 1202/4885CA1 1914/4885CA2 2888/4885

“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.