SCHEMBL2942959

SCHEMBL2942959

O=C(O)n1cccc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 4/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 8/20 0.46
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
MAPT P10636 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALOX15 P16050 1/20 0.44
PKM P14618 1/20 0.43
GABRA1 P14867 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
SCHEMBL2942958 1.00 TP53 (0.47) TP53SMN1; SMN2TDP1TSHRLMNA
SCHEMBL27916931 0.83 POLB (0.49) TDP1TSHRLMNAALDH1A1CES2
SCHEMBL4717161 0.80 HSP90AA1 (0.46) SMN1; SMN2LMNAALDH1A1CASP3SENP8
SCHEMBL31460477 0.79 PCSK9 (0.41) ALDH1A1ALOX15PKMKDM4E
SCHEMBL20557308 0.75 MAOA (0.46) TP53LMNAALDH1A1MAPTRAB9A
SCHEMBL6738366 0.73 TSHR (0.76) SMN1; SMN2TDP1TSHRLMNAALDH1A1
SCHEMBL29526232 0.71 TSHR (0.67) TP53SMN1; SMN2TDP1TSHRLMNA
SCHEMBL2009026 0.71 TSHR (0.67) TP53SMN1; SMN2TDP1TSHRLMNA
SCHEMBL11392466 0.71 TSHR (0.73) SMN1; SMN2TDP1TSHRLMNAALDH1A1
Iodide SCHEMBL30804629 0.71 TSHR (0.73) SMN1; SMN2TDP1TSHRLMNAALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210332007-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS RESEARCH TRIANGLE INSTITUTE 2021-10-28 US disclosed
US-11084781-B2 Diarylureas as CB1 allosteric modulators RESEARCH TRIANGLE INSTITUTE (US) 2021-08-10 US disclosed
EP-3621951-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS Research Triangle Institute (US) 2020-03-18 EP disclosed
US-20200062699-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-02-27 US disclosed
WO-2018209030-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS RTI INTERNATIONAL (US) 2018-11-15 WO disclosed
EP-1856096-B1 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2010-09-01 EP disclosed
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed
US-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 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 (4 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-11084781-B2 Diarylureas as CB1 allosteric modulators CNR1, CNR2, GPR18 TP53 4837/4885SMN1; SMN2 3528/4885TDP1 4211/4885
US-20200062699-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS CNR1, CNR2, GPR18 TP53 4837/4885SMN1; SMN2 3528/4885TDP1 4211/4885
US-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants TFPI, SERPINC1, SERPINE1 TP53 3570/4885SMN1; SMN2 4873/4885TDP1 2502/4885
US-20210332007-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS CNR1, CNR2, GPR18 TP53 4837/4885SMN1; SMN2 3528/4885TDP1 4211/4885

“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.