SCHEMBL4828671

SCHEMBL4828671

O=C1Nc2ccccc2Nc2c1cnn2Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSD A5PKW4 1/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.41
FER P16591 2/20 0.41
PDGFRA P16234 1/20 0.41
LTK P29376 1/20 0.41
CDK8 P49336 1/20 0.41
ACVR1 Q04771 1/20 0.41
LRRK2 Q5S007 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
PTGS2 P35354 3/20 0.40
PTGS1 P23219 1/20 0.40
IDO1 P14902 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RPS6KA3 P51812 1/20 0.39

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
SCHEMBL1495971 0.74 ACVR1 (0.47) FERPDGFRALTKCDK8ACVR1
SCHEMBL4828802 0.73 RECQL (0.41) MAPTRECQLHSD17B10TSHRALDH1A1
SCHEMBL27533153 0.71 RECQL (0.37) PSDMAPTRECQLHSD17B10PTGS1
SCHEMBL30020048 0.69 HSD17B10 (0.54) MAPTRECQLHSD17B10PTGS2PTGS1
SCHEMBL8784355 0.66 PTGS1 (0.53) MAPTRECQLHSD17B10PTGS2PTGS1
SCHEMBL9220188 0.66 AADAT (0.47) MAPTRECQLHSD17B10PTGS2PTGS1
SCHEMBL1691731 0.65 PTGS1 (0.52) MAPTRECQLHSD17B10PTGS2PTGS1
SCHEMBL22904142 0.65 MEN1 (0.46) PSDMAPTRECQLHSD17B10IDO1
SCHEMBL8300867 0.64 RAB9A (0.53) MAPTHSD17B10MEN1KMT2AALDH1A1
SCHEMBL29250802 0.64 RECQL (0.50) MAPTRECQLHSD17B10PTGS1TSHR

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 17 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
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

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 PSD 705/4885MAPT 3950/4885RECQL 3094/4885
US-20080275026-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists AVPR1A, AVPR2, AVPR1B PSD 3449/4885MAPT 4697/4885RECQL 2410/4885
US-20060166971-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists AVPR1A, AVPR2, AVPR1B PSD 3449/4885MAPT 4697/4885RECQL 2410/4885
US-20040235753-A1 Oxytocin agonists OXTR, GNRHR, PRLHR PSD 331/4885MAPT 3026/4885RECQL 2779/4885

“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.