SCHEMBL4837515

SCHEMBL4837515

CCOC(=O)c1cnn(Cc2ccccc2)c1Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 8/20 0.47
PDE4B Q07343 2/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.43
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
FPR1 P21462 1/20 0.41

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
SCHEMBL27540751 0.87 KDM4E (0.48) SMN1; SMN2KMT2AALDH1A1LMNANPC1
SCHEMBL30933991 0.85 ALDH1A1 (0.48) SMN1; SMN2KMT2AALDH1A1LMNANPC1
SCHEMBL1496043 0.85 ALDH1A1 (0.48) SMN1; SMN2KMT2AALDH1A1LMNANPC1
SCHEMBL6248778 0.84 SMN1; SMN2 (0.51) SMN1; SMN2KMT2AALDH1A1PDE4BLMNA
SCHEMBL4836504 0.84 LMNA (0.55) SMN1; SMN2KMT2AALDH1A1PDE4BLMNA
SCHEMBL5554094 0.80 CDC25B (0.45) SMN1; SMN2KMT2AALDH1A1LMNAHPGD
SCHEMBL6366186 0.78 SMN1; SMN2 (0.45) SMN1; SMN2KMT2AALDH1A1LMNANPC1
SCHEMBL15920987 0.76 SMN1; SMN2 (0.61) SMN1; SMN2KMT2AALDH1A1PDE4BLMNA
SCHEMBL8693084 0.75 ALDH1A1 (0.54) SMN1; SMN2KMT2AALDH1A1PDE4BLMNA
SCHEMBL15921183 0.75 SMN1; SMN2 (0.60) SMN1; SMN2KMT2AALDH1A1PDE4BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275026-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. 2008-11-06 US disclosed
US-20080275026-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. 2008-11-06 US disclosed
US-20080275026-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. 2008-11-06 US disclosed
US-7407949-B2 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. (NL) 2008-08-05 US disclosed
US-7407949-B2 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. (NL) 2008-08-05 US disclosed
US-7407949-B2 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. (NL) 2008-08-05 US disclosed
US-20060166971-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. (NL) 2006-07-27 US disclosed
EP-1592693-A1 BENZAMIDE DERIVATIVES AS OXYTOCIN AGONISTS AND VASOPRESSIN ANTAGONISTS Ferring B.V. (NL) 2005-11-09 EP disclosed
EP-1399436-B1 OXYTOCIN AGONISTS FERRING BV (NL) 2005-03-16 EP disclosed
US-20050032777-A1 Diazacycloalkanes as oxytocin agonists FEERING B.V. (NL) 2005-02-10 US disclosed
US-20040235753-A1 Oxytocin agonists PITT GRAY ROBERT WILLIAM (GB) 2004-11-25 US disclosed
WO-2004072083-A1 BENZAMIDE DERIVATIVES AS OXYTOCIN AGONISTS AND VASOPRESSIN ANTAGONISTS FERRING B.V. (NL) 2004-08-26 WO disclosed
WO-2004072083-A1 BENZAMIDE DERIVATIVES AS OXYTOCIN AGONISTS AND VASOPRESSIN ANTAGONISTS FERRING B.V. (NL) 2004-08-26 WO disclosed
EP-1449844-A1 benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. (NL) 2004-08-25 EP disclosed
EP-1421087-A1 DIAZACYCLOALKANES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2004-05-26 EP disclosed
EP-1399436-A2 OXYTOCIN AGONISTS Ferring BV (NL) 2004-03-24 EP disclosed
WO-2003016316-A1 DIAZACYCLOALKANES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2003-02-27 WO disclosed
WO-2003016316-A1 DIAZACYCLOALKANES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2003-02-27 WO disclosed
WO-2003000692-A2 OXYTOCIN AGONISTS FERRING BV (NL) 2003-01-03 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 (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-20050032777-A1 Diazacycloalkanes as oxytocin agonists OXTR, GNRHR, KISS1R SMN1; SMN2 1677/4885KMT2A 4463/4885ALDH1A1 3597/4885
US-20080275026-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists AVPR1A, AVPR2, AVPR1B SMN1; SMN2 3618/4885KMT2A 1922/4885ALDH1A1 2308/4885
US-20060166971-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists AVPR1A, AVPR2, AVPR1B SMN1; SMN2 3618/4885KMT2A 1922/4885ALDH1A1 2308/4885
US-20040235753-A1 Oxytocin agonists OXTR, GNRHR, PRLHR SMN1; SMN2 840/4885KMT2A 4212/4885ALDH1A1 3533/4885

“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.