SCHEMBL834002

SCHEMBL834002

NCc1cccc(CNCc2cccc(CN)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.52
PNMT P11086 1/20 0.52
ENPP2 Q13822 1/20 0.52
PRMT6 Q96LA8 1/20 0.47
NOS1 P29475 3/20 0.46
NOS2 P35228 3/20 0.46
ALDH1A1 P00352 2/20 0.46
NOS3 P29474 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP3A4 P08684 2/20 0.46
NFKB1 P19838 2/20 0.46
BCHE P06276 1/20 0.44
SLC2A4 P14672 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
PIM1 P11309 1/20 0.43
NCF1 P14598 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
SCHEMBL30186883 1.00 LOXL2 (0.52) LOXL2PNMTENPP2PRMT6NOS1
SCHEMBL17504543 0.94 LOXL2 (0.58) LOXL2PNMTENPP2ALDH1A1SMN1; SMN2
SCHEMBL30219100 0.87 MC4R (0.58) LOXL2PNMTENPP2PRMT6CYP1A2
SCHEMBL8500622 0.87 PNMT (0.45) LOXL2PNMTENPP2PRMT6NOS1
SCHEMBL18096445 0.87 ABAT (0.57) ENPP2NOS2NOS3CYP3A4NFKB1
SCHEMBL30192676 0.86 MEN1 (0.65) LOXL2ALDH1A1BCHECYP1A2CYP2D6
SCHEMBL30192674 0.86 MEN1 (0.65) LOXL2ALDH1A1BCHECYP1A2CYP2D6
SCHEMBL36008 0.84 LOXL2 (0.71) LOXL2PNMTENPP2PRMT6NOS1
SCHEMBL10422276 0.84 LOXL2 (0.71) LOXL2PNMTENPP2PRMT6NOS1
SCHEMBL7023370 0.84 ENPP2 (0.47) LOXL2PNMTENPP2NOS1NOS2

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
CN-112047843-B Method for improving stability of m-xylylenediamine fixed bed hydrogenation catalyst 万华化学集团股份有限公司 2023-01-17 CN disclosed
CN-112047843-A Method for improving stability of m-xylylenediamine fixed bed hydrogenation catalyst 万华化学集团股份有限公司 2020-12-08 CN disclosed
EP-1984320-B1 METHOD FOR PRODUCING PURE XYLYLENEDIAMINE (XDA) BASF SE (DE) 2013-10-23 EP disclosed
US-8142618-B2 Processes for preparing pure xylylenediamine BASF AKTIENGESELLSCHAFT (DE) 2012-03-27 US disclosed
US-8142618-B2 Processes for preparing pure xylylenediamine BASF AKTIENGESELLSCHAFT (DE) 2012-03-27 US disclosed
US-20090020407-A1 METHOD FOR PRODUCING PURE XYLYLENEDIAMINE (XDA) BASF AKTIENGESELLSCHAFT (DE) 2009-01-22 US disclosed
US-20090020407-A1 METHOD FOR PRODUCING PURE XYLYLENEDIAMINE (XDA) BASF AKTIENGESELLSCHAFT (DE) 2009-01-22 US disclosed
US-20080287643-A1 Polyamides Formed From Metaxylylenediamine and Adipic and Having an Amino End Group Content of Less Than 15 Mmol/Kg BASF SE (DE) 2008-11-20 US disclosed
US-20080287643-A1 Polyamides Formed From Metaxylylenediamine and Adipic and Having an Amino End Group Content of Less Than 15 Mmol/Kg BASF SE (DE) 2008-11-20 US disclosed
US-20080262266-A1 Method for the Production of Xylyendiamine BASF SE (DE) 2008-10-23 US disclosed
US-20080262266-A1 Method for the Production of Xylyendiamine BASF SE (DE) 2008-10-23 US disclosed
WO-2007049233-A1 STABLE POLYAMIDES FOR SIMULTANEOUS SOLID PHASE POLYMERIZATION OF POLYESTERS AND POLYAMIDES M & G POLIMERI ITALIA S.P.A. (IT) 2007-05-03 WO disclosed
US-20070093616-A1 Stable Polyamides For Simultaneous Solid Phase Polymerization of Polyesters and Polyamides M&G USA CORPORATION 2007-04-26 US disclosed
US-20070093616-A1 Stable Polyamides For Simultaneous Solid Phase Polymerization of Polyesters and Polyamides M&G USA CORPORATION 2007-04-26 US disclosed
WO-2007033932-A1 METHOD FOR THE PRODUCTION OF XYLYLENEDIAMINE BASF SE (DE) 2007-03-29 WO disclosed
EP-1312633-B1 Process for the production of polyamide compositions for moulding EMS CHEMIE AG (CH) 2006-07-26 EP disclosed
EP-1312633-A1 Process for the production of polyamide compositions for moulding EMS Chemie AG (CH) 2003-05-21 EP disclosed
EP-0709350-B1 Hardenable building material mixtures BAKELITE AG (DE) 1997-05-14 EP disclosed
EP-0709350-A1 Hardenable building material mixtures Bakelite AG (DE) 1996-05-01 EP 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 (1 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-20080262266-A1 Method for the Production of Xylyendiamine DCXR, HPD, XDH LOXL2 2002/4885PNMT 4/4885ENPP2 1940/4885

“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.