SCHEMBL2946989

SCHEMBL2946989

Nc1ccc(C(=O)Nc2ccccn2)cc1N

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.71
RAB9A P51151 9/20 0.71
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
SMN1; SMN2 Q16637 6/20 0.59
PKM P14618 4/20 0.59
F2 P00734 1/20 0.57
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 2/20 0.56
GRM5 P41594 1/20 0.56
TP53 P04637 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
SIRT2 Q8IXJ6 1/20 0.54
MAPT P10636 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
LMNA P02545 1/20 0.52
CHRNB2 P17787 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51

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
SCHEMBL11219536 0.87 NPC1 (0.65) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13175593 0.84 F2 (0.64) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13202288 0.84 F2 (0.64) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3365984 0.83 RAB9A (0.83) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7096171 0.82 RAB9A (0.66) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL10678846 0.81 NPC1 (0.75) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL1970416 0.79 NPC1 (0.63) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2943454 0.79 RAB9A (0.66) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL29366822 0.79 RAB9A (0.89) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL997866 0.79 RAB9A (0.89) NPC1RAB9AMEN1KMT2ASMN1; 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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1576093-A4 3-DEOXYGLUCOSONE AND SKIN DYNAMIS THERAPEUTICS INC (US) 2009-07-08 EP claimed
CN-101084235-A 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS INC (US) 2007-12-05 CN claimed
US-20070065443-A1 Fructoseamine 3 kinase and the formation of collagen and elastin DYNAMIS THERAPEUTICS, INC. 2007-03-22 US claimed
EP-1753861-A2 FRUCTOSEAMINE 3 KINASE AND THE FORMATION OF COLLAGEN AND ELASTIN Dynamis Therapeutics, Inc. (US) 2007-02-21 EP claimed
EP-1576093-A2 3-DEOXYGLUCOSONE AND SKIN Dynamis Therapeutics, Inc. (US) 2005-09-21 EP claimed
WO-2005079463-A2 FRUCTOSEAMINE 3 KINASE AND THE FORMATION OF COLLAGEN AND ELASTIN DYNAMIS THERAPEUTICS, INC. (US) 2005-09-01 WO claimed
US-20050159383-A1 Administering enzyme inhibitors; wrinkling and aging resistance; prevents formation Advanced Glycation End Products (AGEs) DYNAMIS THERAPEUTICS, INC. 2005-07-21 US claimed
US-20030219440-A1 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS, INC. 2003-11-27 US claimed
WO-2003089601-A2 3-DEOXYGLUCOSONE AND SKIN DYNAMIS THERAPEUTICS, INC. (US) 2003-10-30 WO claimed
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2015-01-08 US disclosed
US-8916599-B2 1H-benz imidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2014-12-23 US disclosed
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20100310482-A1 3-Deoxyglucosone And Skin DYNAMIS THERAPEUTICS, INC. (US) 2010-12-09 US disclosed
US-7749503-B2 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS, INC. (US) 2010-07-06 US disclosed
WO-2005079463-A2 FRUCTOSEAMINE 3 KINASE AND THE FORMATION OF COLLAGEN AND ELASTIN DYNAMIS THERAPEUTICS, INC. (US) 2005-09-01 WO disclosed
US-20050159383-A1 Administering enzyme inhibitors; wrinkling and aging resistance; prevents formation Advanced Glycation End Products (AGEs) DYNAMIS THERAPEUTICS, INC. 2005-07-21 US disclosed
US-20030219440-A1 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS, INC. 2003-11-27 US disclosed
WO-2003089601-A2 3-DEOXYGLUCOSONE AND SKIN DYNAMIS THERAPEUTICS, INC. (US) 2003-10-30 WO disclosed
US-5514676-A TO INHIBIT THE FORMATION OF ADVANCED GLYCOSLYATION PRODUCTS BY THE NONENZYMATIC CROSSLINKING OF PROTEINS WITH REDUCING SUGARS, USED IN FOOD PRESERVATION AND TO PREVENT PROTEIN AGING IN COLLAGEN OR LENSES IN THE EYE PRESERVATION THE ROCKEFELLER UNIVERSITY (US) 1996-05-07 US disclosed
US-5476849-A Inhibiting advanced glycosylation and/or crosslinking of target protein THE ROCKEFELLER UNIVERSITY (US) 1995-12-19 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 (6 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-20070065443-A1 Fructoseamine 3 kinase and the formation of collagen and elastin FN3K, PDXK, COLGALT1 NPC1 3937/4885RAB9A 3851/4885MEN1 1069/4885
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents MAPRE2, MAPRE1, H1-4 NPC1 4650/4885RAB9A 867/4885MEN1 2080/4885
US-20100310482-A1 3-Deoxyglucosone And Skin DPM1, G6PD, UGGT1 NPC1 2354/4885RAB9A 3894/4885MEN1 1559/4885
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 NPC1 275/4885RAB9A 2559/4885MEN1 3942/4885
US-20030219440-A1 3-deoxyglucosone and skin DPM1, G6PD, UGGT1 NPC1 2354/4885RAB9A 3894/4885MEN1 1559/4885
US-20050159383-A1 Administering enzyme inhibitors; wrinkling and aging resistance; prevents formation Advanced Glycation End Products (AGEs) AGER, GLA, GALE NPC1 4522/4885RAB9A 1555/4885MEN1 3627/4885

“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.