SCHEMBL2176535

SCHEMBL2176535

NCc1ccnc(C(N)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 13/20 0.56
LOX P28300 3/20 0.50
LOXL3 P58215 1/20 0.50
CYP4F2 P78329 3/20 0.45
CYP4A11 Q02928 2/20 0.45
ADORA3 P0DMS8 1/20 0.42
TSHR P16473 1/20 0.42
MC4R P32245 1/20 0.42
ADRA1A P35348 1/20 0.42
MC3R P41968 1/20 0.42
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 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
Hydrochloric Acid SCHEMBL5013437 0.98 LOXL2 (0.55) LOXL2LOXLOXL3CYP4F2CYP4A11
SCHEMBL9339179 0.85 LOXL2 (0.44) LOXL2CYP4F2CYP4A11ADORA3TSHR
SCHEMBL2328151 0.85 RECQL (0.50) LOXL2CYP4F2CYP4A11ADORA3TSHR
SCHEMBL30193091 0.85 RECQL (0.50) LOXL2CYP4F2CYP4A11ADORA3TSHR
SCHEMBL20377228 0.85 CYP4F2 (0.45) LOXL2CYP4F2CYP4A11ADORA3TSHR
SCHEMBL2880084 0.85 LOXL2 (0.57) LOXL2LOXLOXL3CYP4F2CYP4A11
SCHEMBL4016509 0.83 CYP4F2 (0.44) LOXL2CYP4F2CYP4A11ADORA3TSHR
SCHEMBL2643691 0.83 LOXL2 (0.55) LOXL2LOXLOXL3GABRPGABRD
SCHEMBL19211551 0.83 CYP4F2 (0.44) LOXL2CYP4F2CYP4A11ADORA3TSHR
SCHEMBL2677778 0.83 SMYD3 (0.54) LOXL2CYP4F2CYP4A11ADORA3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312316-A1 NOVEL COMPOUNDS BIOTICA TECHNOLOGY LIMITED (GB) 2009-12-17 US claimed
EP-2023915-A2 BORRELIDIN DERIVATIVES AS ANTIPROLIFERATIVE AGENTS AND ANGIOGENESIS INHIBITORS Biotica Technology Limited (GB) 2009-02-18 EP claimed
WO-2007135078-A2 BORRELIDIN DERIVATIVES AS ANTIPROLIFERATIVE AGENTS AND ANGIOGENESIS INHIBITORS BIOTICA TECHNOLOGY LIMITED (GB) 2007-11-29 WO claimed
US-20040157834-A1 Somatostatin antagonists and agonists that act at the SST subtype 2 receptor PFIZER INC 2004-08-12 US claimed
US-6720330-B2 INCREASING SECRETION OF GROWTH HORMONE, GASTRIN, OR GLUCAGON IN A MAMMAL; INHIBITING THE BINDING OF SOMATOSTATIN TO AN SST2 RECEPTOR PFIZER INC. 2004-04-13 US claimed
US-20020091125-A1 Somatostatin antagonists and agonists that act at the SST subtype 2 receptor HAY BRUCE A (US) 2002-07-11 US claimed
US-5387595-A Antiinflammatory agents MERCK & CO., INC. (US) 1995-02-07 US claimed
WO-1994004487-A1 ALICYCLIC COMPOUNDS AS TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-03-03 WO claimed
US-8765789-B2 2-pyridinecarboxamide derivatives MSD K.K. (JP) 2014-07-01 US disclosed
EP-2285783-B1 INDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-21 EP disclosed
EP-2050446-B1 SULFONAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-05-07 EP disclosed
EP-2050446-B1 SULFONAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-05-07 EP disclosed
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2013-04-04 US disclosed
US-8344003-B2 2-pyridinecarboxamide derivatives MSD K. K. (JP) 2013-01-01 US disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 EP disclosed
US-20040157834-A1 Somatostatin antagonists and agonists that act at the SST subtype 2 receptor PFIZER INC 2004-08-12 US disclosed
US-6720330-B2 INCREASING SECRETION OF GROWTH HORMONE, GASTRIN, OR GLUCAGON IN A MAMMAL; INHIBITING THE BINDING OF SOMATOSTATIN TO AN SST2 RECEPTOR PFIZER INC. 2004-04-13 US disclosed
US-20020091125-A1 Somatostatin antagonists and agonists that act at the SST subtype 2 receptor HAY BRUCE A (US) 2002-07-11 US disclosed
US-5387595-A Antiinflammatory agents MERCK & CO., INC. (US) 1995-02-07 US disclosed
WO-1994004487-A1 ALICYCLIC COMPOUNDS AS TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-03-03 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-20090312316-A1 NOVEL COMPOUNDS CD22, ALDH1A2, BCAP31 LOXL2 2999/4885LOX 3160/4885LOXL3 2456/4885
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 LOXL2 2232/4885LOX 1831/4885LOXL3 2283/4885
US-20040157834-A1 Somatostatin antagonists and agonists that act at the SST subtype 2 receptor SSTR2, GHSR, SSTR1 LOXL2 3186/4885LOX 3542/4885LOXL3 3410/4885
US-20020091125-A1 Somatostatin antagonists and agonists that act at the SST subtype 2 receptor SSTR2, GHSR, SSTR1 LOXL2 3246/4885LOX 3606/4885LOXL3 3425/4885

“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.