SCHEMBL4836504

SCHEMBL4836504

CCOC(=O)c1cnn(Cc2ccccc2)c1Nc1ccccc1N

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 7/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 2/20 0.49
MAPK1 P28482 1/20 0.49
CDC25B P30305 2/20 0.47
PDE4B Q07343 2/20 0.47
HSD17B10 Q99714 1/20 0.46
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45

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
SCHEMBL6248778 0.87 SMN1; SMN2 (0.51) LMNANPC1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4837515 0.84 SMN1; SMN2 (0.48) LMNANPC1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL1495921 0.83 CDC25B (0.54) LMNANPC1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL30933993 0.83 CDC25B (0.54) LMNANPC1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4832108 0.81 NPC1 (0.81) LMNANPC1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL8693084 0.78 ALDH1A1 (0.54) LMNANPC1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL21332805 0.78 SMN1; SMN2 (0.77) LMNANPC1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL15920987 0.77 SMN1; SMN2 (0.61) LMNANPC1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL13495282 0.77 SMN1; SMN2 (0.61) LMNANPC1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL8697615 0.77 ALDH1A1 (0.55) LMNANPC1ALDH1A1KMT2ASMN1; SMN2

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 16 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-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
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 LMNA 3756/4885NPC1 2651/4885ALDH1A1 3597/4885
US-20080275026-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists AVPR1A, AVPR2, AVPR1B LMNA 3231/4885NPC1 3604/4885ALDH1A1 2308/4885
US-20060166971-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists AVPR1A, AVPR2, AVPR1B LMNA 3231/4885NPC1 3604/4885ALDH1A1 2308/4885
US-20040235753-A1 Oxytocin agonists OXTR, GNRHR, PRLHR LMNA 3333/4885NPC1 2442/4885ALDH1A1 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.