SCHEMBL1608161

SCHEMBL1608161

O=C(c1ccccc1)n1cncn1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
GAA P10253 1/20 0.61
PDE4B Q07343 9/20 0.56
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.52
FAAH O00519 2/20 0.50
MGLL Q99685 2/20 0.50
F2 P00734 1/20 0.45
PLAU P00749 1/20 0.45
ELANE P08246 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL11089908 0.79 LMNA (0.57) ALDH1A1GAAPDE4BLMNASMN1; SMN2
SCHEMBL14321564 0.77 ALDH1A1 (0.53) ALDH1A1GAAPDE4BLMNASMN1; SMN2
SCHEMBL11232470 0.74 ALDH1A1 (0.50) ALDH1A1GAAPDE4BLMNASMN1; SMN2
SCHEMBL11232464 0.74 ALDH1A1 (0.50) ALDH1A1GAAPDE4BLMNASMN1; SMN2
SCHEMBL1251052 0.74 KDM4E (0.41) ALDH1A1GAAPDE4BLMNAFAAH
SCHEMBL28469425 0.74 LMNA (0.71) ALDH1A1GAAPDE4BLMNASMN1; SMN2
SCHEMBL11455162 0.72 ALDH1A1 (0.70) ALDH1A1GAAPDE4BLMNASMN1; SMN2
SCHEMBL11455163 0.72 ALDH1A1 (0.70) ALDH1A1GAAPDE4BLMNASMN1; SMN2
SCHEMBL17457926 0.72 TSHR (0.51) ALDH1A1GAAPDE4BLMNAMEN1
SCHEMBL10824159 0.71 LMNA (0.49) ALDH1A1GAAPDE4BLMNASMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11993601-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV 2024-05-28 US disclosed
CN-117903071-A Synthesis method of alpha-aminoketone derivative 湖州师范学院 2024-04-19 CN disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-11597728-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-03-07 US disclosed
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 US disclosed
EP-2909192-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T Janssen Pharmaceutica, N.V. (BE) 2015-08-26 EP disclosed
WO-2014062658-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2014-04-24 WO disclosed
US-8389557-B2 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-03-05 US disclosed
US-20110082131-A1 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
EP-0079856-A1 Microbicidal triazolyl-vinyl esters CIBA-GEIGY AG (CH) 1983-05-25 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 (5 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-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ALDH1A1 344/4885GAA 139/4885PDE4B 975/4885
US-20110082131-A1 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS AXL, TYRO3, FLT3 ALDH1A1 3801/4885GAA 92/4885PDE4B 2073/4885
US-11993601-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP ALDH1A1 344/4885GAA 139/4885PDE4B 975/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ALDH1A1 344/4885GAA 139/4885PDE4B 975/4885
US-11597728-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP ALDH1A1 344/4885GAA 139/4885PDE4B 975/4885

“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.