SCHEMBL3356061

SCHEMBL3356061

Cc1nc(C(=O)O)nn1-c1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.65
LMNA P02545 3/20 0.50
HTT P42858 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 2/20 0.49
PPARA Q07869 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.44
PTGS2 P35354 1/20 0.44
RECQL P46063 1/20 0.43
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
MGLL Q99685 1/20 0.42

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
SCHEMBL6029647 0.85 SMN1; SMN2 (0.68) TDP1LMNAHTTSMN1; SMN2KMT2A
SCHEMBL1825048 0.84 TDP1 (0.65) TDP1LMNAHTTSMN1; SMN2KMT2A
SCHEMBL15760229 0.81 KMT2A (0.76) TDP1LMNAHTTSMN1; SMN2KMT2A
SCHEMBL14292579 0.79 TDP1 (0.63) TDP1KMT2APTGS2
SCHEMBL1820467 0.79 TDP1 (1.00) TDP1LMNAHTTSMN1; SMN2KMT2A
SCHEMBL29204482 0.77 SMN1; SMN2 (0.57) TDP1SMN1; SMN2KMT2APPARAL3MBTL1
SCHEMBL21893501 0.75 MAPK10 (0.46) LMNAHTTSMN1; SMN2KMT2AMEN1
SCHEMBL2532261 0.75 ALDH1A1 (0.70) TDP1LMNAHTTSMN1; SMN2KMT2A
SCHEMBL15362663 0.74 HTT (0.64) TDP1LMNAHTTSMN1; SMN2KMT2A
SCHEMBL31175294 0.73 KMT2A (0.73) TDP1HTTKMT2APOLBMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US claimed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US claimed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 US claimed
EP-3856179-B1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2026-05-13 EP disclosed
US-12577243-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2026-03-17 US disclosed
EP-3856178-B1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2026-03-11 EP disclosed
US-20240327410-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2024-10-03 US disclosed
CN-113164458-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-13 CN disclosed
CN-113164459-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-03 CN disclosed
US-11993601-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV 2024-05-28 US disclosed
US-11834452-B2 CXCR7 antagonists CHEMOCENTRYX, INC. (US) 2023-12-05 US disclosed
EP-2029559-B1 ARYL-4-ETHYNYL-ISOXAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-08-05 EP disclosed
US-7544704-B2 Aryl-4-ethynyl-isoxazole derivatives HOFFMANN-LA ROCHE INC. (US) 2009-06-09 US disclosed
EP-2029559-A1 ARYL-4-ETHYNYL-ISOXAZOLE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-04 EP disclosed
US-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-12 US disclosed
US-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-12 US disclosed
US-20070287739-A1 Aryl-4-ethynyl-isoxazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-12-13 US disclosed
WO-2007137954-A1 ARYL-4-ETHYNYL-ISOXAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-12-06 WO disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US 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 (8 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-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH TDP1 1095/4885LMNA 1988/4885HTT 3651/4885
US-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS GRM5, GRIK5, GRM3 TDP1 3361/4885LMNA 3472/4885HTT 834/4885
US-20070287739-A1 Aryl-4-ethynyl-isoxazole derivatives GABRA5, GABRA4, GABRA1 TDP1 3117/4885LMNA 4434/4885HTT 1228/4885
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 TDP1 20/4885LMNA 426/4885HTT 219/4885
US-11993601-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP TDP1 1309/4885LMNA 1845/4885HTT 3309/4885
US-20240327410-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP TDP1 1309/4885LMNA 1845/4885HTT 3309/4885
US-11834452-B2 CXCR7 antagonists CXCR1, CXCR5, CCR7 TDP1 4641/4885LMNA 4819/4885HTT 3181/4885
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP TDP1 127/4885LMNA 479/4885HTT 493/4885

“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.