SCHEMBL12940263

SCHEMBL12940263

Cc1ccc(C(=O)Nc2nc(-c3ccc(O)c(O)c3)c(-c3ccccc3)s2)cc1O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PLTP P55058 6/20 0.59
▸ TOP1 P11387 1/20 0.52
▸ ADORA2A P29274 4/20 0.49
▸ RRM1 P23921 2/20 0.49
▸ RRM2B Q7LG56 2/20 0.49
▸ ADORA1 P30542 3/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ HPGD P15428 2/20 0.48
▸ MAPT P10636 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 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
Coh-29 SCHEMBL31436912 0.94 PLTP (0.61) PLTPTOP1ADORA2ARRM1RRM2B
Coh-29 SCHEMBL29424344 0.94 PLTP (0.61) PLTPTOP1ADORA2ARRM1RRM2B
Coh-29 SCHEMBL10036527 0.94 PLTP (0.61) PLTPTOP1ADORA2ARRM1RRM2B
SCHEMBL10002075 0.81 PLTP (0.86) PLTPTOP1RRM1RRM2BKMT2A
SCHEMBL2753294 0.79 ADORA3 (0.74) ADORA2AADORA1ADORA3KMT2ASMN1; SMN2
SCHEMBL235268 0.77 ADORA3 (0.76) ADORA2AADORA1ADORA3KMT2ASMN1; SMN2
SCHEMBL2753581 0.77 ADORA2A (0.61) ADORA2AADORA1ADORA3KMT2ASMN1; SMN2
SCHEMBL12802354 0.77 L3MBTL1 (0.61) ADORA1ADORA3KMT2ASMN1; SMN2HPGD
SCHEMBL10002071 0.76 PLTP (0.63) PLTPTOP1RRM1RRM2BMAPT
SCHEMBL918012 0.76 ADORA2A (0.64) ADORA2AADORA1ADORA3KMT2ASMN1; 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-20180155303-A1 RIBONUCLEOTIDE REDUCTASE INHIBITORS AND METHODS OF USE CITY OF HOPE 2018-06-07 — — US disclosed
US-9796692-B2 Ribonucleotide reductase inhibitors and methods of use CITY OF HOPE (US) 2017-10-24 — — US disclosed
US-20170137392-A1 RIBONUCLEOTIDE REDUCTASE INHIBITORS AND METHODS OF USE CITY OF HOPE 2017-05-18 — — US disclosed
US-9598385-B2 Ribonucleotide reductase inhibitors and methods of use CITY OF HOPE (US) 2017-03-21 — — US disclosed
US-20160122308-A1 RIBONUCLEOTIDE REDUCTASE INHIBITORS AND METHODS OF USE CITY OF HOPE 2016-05-05 — — US disclosed
US-9126960-B2 Ribonucleotide reductase inhibitors and methods of use CITY OF HOPE (US) 2015-09-08 — — US disclosed
US-20150087844-A1 RIBONUCLEOTIDE REDUCTASE INHIBITORS AND METHODS OF USE CITY OF HOPE 2015-03-26 — — US disclosed
US-RE45020-E1 Ribonucleotide reductase inhibitors and methods of use CITY OF HOPE (US) 2014-07-15 — — US disclosed
US-8372983-B2 Ribonucleotide reductase inhibitors and methods of use CITY OF HOPE (US) 2013-02-12 — — US disclosed
US-20120253048-A1 RIBONUCLEOTIDE REDUCTASE INHIBITORS AND METHODS OF USE CITY OF HOPE 2012-10-04 — — 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 (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-20150087844-A1 RIBONUCLEOTIDE REDUCTASE INHIBITORS AND METHODS OF USE RRM2, RRM2B, RRM1 PLTP 4024/4885TOP1 1029/4885ADORA2A 3257/4885
US-20160122308-A1 RIBONUCLEOTIDE REDUCTASE INHIBITORS AND METHODS OF USE RRM2, RRM2B, RRM1 PLTP 4024/4885TOP1 1029/4885ADORA2A 3257/4885
US-20180155303-A1 RIBONUCLEOTIDE REDUCTASE INHIBITORS AND METHODS OF USE RRM2, RRM2B, RRM1 PLTP 4024/4885TOP1 1029/4885ADORA2A 3257/4885
US-20170137392-A1 RIBONUCLEOTIDE REDUCTASE INHIBITORS AND METHODS OF USE RRM2, RRM2B, RRM1 PLTP 4024/4885TOP1 1029/4885ADORA2A 3257/4885
US-20120253048-A1 RIBONUCLEOTIDE REDUCTASE INHIBITORS AND METHODS OF USE RRM2, RRM2B, RRM1 PLTP 4024/4885TOP1 1029/4885ADORA2A 3257/4885

“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.

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