SCHEMBL3470955

SCHEMBL3470955

COc1ccc(N(C(N)=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.55
CA2 P00918 6/20 0.55
PARP10 Q53GL7 2/20 0.55
PARP1 P09874 1/20 0.55
PARP2 Q9UGN5 1/20 0.55
PARP4 Q9UKK3 1/20 0.55
PRSS1 P07477 2/20 0.50
PRSS2 P07478 2/20 0.50
PRSS3 P35030 2/20 0.50
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
ALOX5 P09917 1/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
ESR2 Q92731 1/20 0.47
NOX1 Q9Y5S8 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.46

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
SCHEMBL27515960 0.93 ESR2 (0.52) CA1CA2PARP10PARP1PARP2
SCHEMBL28844152 0.93 TRPM8 (0.56) CA1CA2PARP10PARP1PARP2
Water SCHEMBL27597764 0.91 TRPM8 (0.55) CA1CA2PARP10PARP1PARP2
SCHEMBL2239304 0.87 CA2 (0.66) CA1CA2CA12CA9
SCHEMBL22501255 0.86 CA1 (0.53) CA1CA2PARP10PARP1PARP2
SCHEMBL1304250 0.84 PPARA (0.51) CA1CA2PARP10PARP1PARP2
SCHEMBL27500838 0.82 TRPM8 (0.43) CA1CA2PARP10PARP1PARP2
SCHEMBL7615944 0.82 CA1 (0.53) CA1CA2PARP10PARP1PARP2
SCHEMBL28332018 0.81 POLB (0.55) CA1CA2PARP10PARP1PARP2
SCHEMBL4601283 0.81 CA1 (0.54) CA1CA2PARP10PARP1PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023150569-A1 IMIDAZOTETRAZINE COMPOUNDS AND TREATMENT OF TMZ-RESISTANT CANCERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-08-10 WO disclosed
CN-110878035-B Method for preparing symmetrical urea compound 中国科学院化学研究所 2021-01-05 CN disclosed
CN-110878035-A Method for preparing symmetrical urea compound 中国科学院化学研究所 2020-03-13 CN disclosed
US-8476286-B2 for promoting the release of parathyroid hormone, e.g. for preventing or treating bone conditions which are associated with increased calcium depletion or resorption or in which stimulation of bone formation and calcium fixation in the bone is desirable NOVARTIS AG (CH) 2013-07-02 US disclosed
US-8476286-B2 for promoting the release of parathyroid hormone, e.g. for preventing or treating bone conditions which are associated with increased calcium depletion or resorption or in which stimulation of bone formation and calcium fixation in the bone is desirable NOVARTIS AG (CH) 2013-07-02 US disclosed
US-8476286-B2 for promoting the release of parathyroid hormone, e.g. for preventing or treating bone conditions which are associated with increased calcium depletion or resorption or in which stimulation of bone formation and calcium fixation in the bone is desirable NOVARTIS AG (CH) 2013-07-02 US disclosed
EP-2191832-A1 QUINAZOLINE DERIVATIVES WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE Novartis AG (CH) 2010-06-02 EP disclosed
EP-2191832-A1 QUINAZOLINE DERIVATIVES WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE Novartis AG (CH) 2010-06-02 EP disclosed
EP-1401451-B1 QUINAZOLINE DERIVATIVES WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE NOVARTIS AG (CH) 2009-11-11 EP disclosed
EP-1401451-B1 QUINAZOLINE DERIVATIVES WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE NOVARTIS AG (CH) 2009-11-11 EP disclosed
US-6541476-B1 Treating multiple sclerosis or encephalomyelitis in a human SCHERING AKTIENGESELLSCHAFT (DE) 2003-04-01 US disclosed
US-6534509-B1 Derivatives are useful as anti-inflammatory agents. This invention is also directed to pharmacetutical compostions for inflammation SCHERING AKTIENGESELLSCHAFT (DE) 2003-03-18 US disclosed
EP-0988292-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AG (DE) 2003-02-12 EP disclosed
WO-2002102782-A2 QUINAZOLINE DERIVATIVES which PROMOTE THE RELEASE OF PARATHYROID_HORMONE NOVARTIS AG (CH) 2002-12-27 WO disclosed
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGSCHELLSCHAFT 2002-11-28 US disclosed
EP-1254899-A2 Piperazine derivatives and their use as anti-inflammatory agents Schering Aktiengesellschaft (DE) 2002-11-06 EP disclosed
EP-0732338-B1 2,2-Difluoro-3-carbamoyl ribose sulfonate compounds and process for the preparation of beta nucleosides LILLY CO ELI (US) 2002-05-15 EP disclosed
US-6207665-B1 TO TREAT INFLAMMATORY DISORDERS IN HUMANS SCHERING AKTIENGESELLSCHAFT (DE) 2001-03-27 US disclosed
EP-0732338-A1 2,2-Difluoro-3-carbamoyl ribose sulfonate compounds and process for the preparation of beta nucleosides ELI LILLY AND COMPANY (US) 1996-09-18 EP disclosed
US-5521294-A 2,2-difluoro-3-carbamoyl ribose sulfonate compounds and process for the preparation of beta nucleosides ELI LILLY AND COMPANY (US) 1996-05-28 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 (1 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-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES CA1 4558/4885CA2 2886/4885PARP10 946/4885

“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.