SCHEMBL5015505

SCHEMBL5015505

CC(=O)Oc1cncc(Br)c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
HTT P42858 2/20 0.45
RAB9A P51151 1/20 0.45
ALOX15 P16050 1/20 0.43

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
SCHEMBL5674900 0.86 POLB (0.52) POLBHCAR2HTTALOX15
SCHEMBL2907354 0.81 POLB (0.43) POLBHCAR2
SCHEMBL28481352 0.81 POLB (0.46) POLBHCAR2
SCHEMBL21463360 0.80 RAF1 (0.42)
SCHEMBL27689512 0.80 POLB (0.46) POLBHCAR2
SCHEMBL12736324 0.78 LMNA (0.53) POLBHCAR2
SCHEMBL26698318 0.78 CYP3A4 (0.53) POLB
SCHEMBL26698288 0.78 ALDH1A1 (0.54)
SCHEMBL28076602 0.78 POLB (0.40) POLBHCAR2
SCHEMBL27707795 0.78 POLB (0.43) POLBHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103282364-B Imidazo [4, 5 -] quinolin- 2 -one compound and its use as pi3 kinase / MTOR dual inhibitor LILLY CO ELI 2015-06-17 CN disclosed
CN-102753535-B Quinazolines as Potassium Channel Inhibitors BRISTOL MYERS SQUIBB CO 2015-03-25 CN disclosed
CN-102459247-B benzoxazolone derivatives as aldosterone synthase inhibitors NOVARTIS AG 2014-09-17 CN disclosed
CN-102356068-B 2,3-diaryl- or heteroaryl-substituted 1,1,1-trifluoro-2-hydroxypropyl compounds HOFFMANN LA ROCHE 2014-04-23 CN disclosed
CN-101541785-B Substituted dihydropyrazolones and use thereof as HIF-prolyl-4 -hydroxylase inhibitors BAYER IP GMBH 2014-03-12 CN disclosed
CN-103282364-A Imidazo [4, 5 -] quinolin- 2 -one compound and its use as pi3 kinase / MTOR dual inhibitor LILLY CO ELI 2013-09-04 CN disclosed
CN-101798298-B Imidazole derivatives HOFFMANN LA ROCHE 2013-01-09 CN disclosed
US-8352193-B2 Methods for deriving a cumulative ranking TARGET DISCOVERY, INC. (US) 2013-01-08 US disclosed
CN-102858745-A Acylamino-substituted cyclic carboxylic acid derivatives and their use as medicaments SANOFI AVENTIS 2013-01-02 CN disclosed
CN-102753535-A Quinazolines as Potassium Channel Inhibitors BRISTOL MYERS SQUIBB CO 2012-10-24 CN disclosed
US-20020103164-A1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith ADOLOR CORPORATION 2002-08-01 US disclosed
US-6391910-B1 OPIOID ANTAGONIST; ANALGESIC ADOLOR CORPORATION 2002-05-21 US disclosed
US-20020013296-A1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith ADOLOR CORPORATION 2002-01-31 US disclosed
US-6303611-B1 FOR THERAPY OF HYPERALGESIS ADOLOR CORPORATION 2001-10-16 US disclosed
CN-1312800-A Therapeutic biaryl derivatives GLAXO GROUP LTD (GB) 2001-09-12 CN disclosed
EP-1112252-A1 KAPPA AGONIST COMPOUNDS AND PHARMACEUTICAL FORMULATIONS THEREOF Adolor Corporation (US) 2001-07-04 EP disclosed
US-6239154-B1 ARYLACETAMIDES, AGONISTS AT KAPPA OPIOID RECEPTORS. ADOLOR CORPORATION 2001-05-29 US disclosed
US-6057323-A PIPERAZINE DERIVATIVES ADOLOR CORPORATION (US) 2000-05-02 US disclosed
US-6054445-A KAPPA OPIOID AGONIST ACTIVITY; ANALGESICS AND ANTI-PRURITIC AGENTS ADOLOR CORPORATION (US) 2000-04-25 US disclosed
WO-2000014065-A1 KAPPA AGONIST COMPOUNDS AND PHARMACEUTICAL FORMULATIONS THEREOF ADOLOR CORPORATION (US) 2000-03-16 WO 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 (2 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-20020103164-A1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith OPRK1, OPRD1, HRH4 POLB 2725/4885HCAR2 185/4885HTT 4791/4885
US-20020013296-A1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith OPRK1, OPRD1, HRH4 POLB 2725/4885HCAR2 185/4885HTT 4791/4885

“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.