SCHEMBL4960075

SCHEMBL4960075

Oc1cccc2c(I)cccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.52
HSD17B10 Q99714 5/20 0.50
HPGD P15428 4/20 0.50
ALOX15 P16050 4/20 0.50
RECQL P46063 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
MAPT P10636 3/20 0.50
CYP1A2 P05177 2/20 0.50
APP P05067 1/20 0.50
THRB P10828 1/20 0.50
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
SNCA P37840 1/20 0.50
ALDH1A1 P00352 3/20 0.48
LMNA P02545 3/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP3A4 P08684 2/20 0.48
RAB9A P51151 2/20 0.48
BLM P54132 2/20 0.48
PARP1 P09874 1/20 0.48

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
SCHEMBL774395 0.84 IDO1 (0.68) IDO1HSD17B10HPGDALOX15RECQL
SCHEMBL30608894 0.83 NOS1 (0.44) IDO1HSD17B10HPGDTDP1CYP1A2
SCHEMBL1269977 0.83 NOS1 (0.44) IDO1HSD17B10HPGDTDP1CYP1A2
SCHEMBL4869305 0.83 IDO1 (0.73) IDO1HSD17B10HPGDALOX15RECQL
SCHEMBL28327 0.83 IDO1 (0.73) IDO1HSD17B10HPGDALOX15RECQL
SCHEMBL29351230 0.83 IDO1 (0.73) IDO1HSD17B10HPGDALOX15RECQL
SCHEMBL28427946 0.80 IDO1 (0.69) IDO1HSD17B10HPGDALOX15RECQL
SCHEMBL19202195 0.78 PTPN22 (0.46) IDO1HSD17B10HPGDALOX15RECQL
SCHEMBL9721905 0.77 IDO1 (0.87) IDO1HSD17B10HPGDALOX15RECQL
SCHEMBL16107538 0.77 IDO1 (0.65) IDO1HSD17B10HPGDALOX15RECQL

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
US-10273234-B2 Compounds that are S1P modulating agents and/or ATX modulating agents BIOGEN MA INC. (US) 2019-04-30 US disclosed
US-10273234-B2 Compounds that are S1P modulating agents and/or ATX modulating agents BIOGEN MA INC. (US) 2019-04-30 US disclosed
WO-2018123207-A1 NAPHTHOBISCHALCOGENADIAZOLE DERIVATIVE AND PRODUCTION METHOD THEREFOR 国立大学法人大阪大学 2018-07-05 WO disclosed
EP-2879674-B1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN MA INC (US) 2017-11-22 EP disclosed
EP-2879674-B1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN MA INC (US) 2017-11-22 EP disclosed
US-20150203493-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2015-07-23 US disclosed
US-20150203493-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2015-07-23 US disclosed
US-20150203493-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2015-07-23 US disclosed
EP-2879674-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS Biogen MA Inc. (US) 2015-06-10 EP disclosed
EP-1871844-B1 BUBBLE COMPOSITION WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2014-08-27 EP disclosed
WO-2007008389-A2 USE OF COLOR CHANGING INDICATORS IN CONSUMER PRODUCTS C2C TECHNOLOGIES LLC (US) 2007-01-18 WO disclosed
US-20070010400-A1 Use of color changing indicators in consumer products C2C TECHNOLOGIES, LLC 2007-01-11 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 IDO1 1690/4885HSD17B10 463/4885HPGD 1611/4885
US-20060257439-A1 Cleansing compositions with color changing indicator WASHC5, WASHC4, FHIT IDO1 1074/4885HSD17B10 1664/4885HPGD 2662/4885
US-20060222601-A1 Oral care compositions with color changing indicator CA9, CA7, TAS2R7 IDO1 1088/4885HSD17B10 1057/4885HPGD 903/4885
US-10273234-B2 Compounds that are S1P modulating agents and/or ATX modulating agents ENPP2, S1PR1, S1PR2 IDO1 1219/4885HSD17B10 4288/4885HPGD 2084/4885
US-20070010400-A1 Use of color changing indicators in consumer products NQO2, CA4, CA7 IDO1 1342/4885HSD17B10 182/4885HPGD 795/4885
US-20150203493-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 IDO1 1219/4885HSD17B10 4288/4885HPGD 2084/4885
US-20060236470-A1 Novelty compositions with color changing indicator MITF, CRABP2, SHH IDO1 2799/4885HSD17B10 2416/4885HPGD 2899/4885

“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.