SCHEMBL4910550

SCHEMBL4910550

Nc1cccc(C(=O)NCC(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.64
MAPT P10636 1/20 0.64
HIF1A Q16665 1/20 0.64
SLC22A6 Q4U2R8 1/20 0.64
SLC22A8 Q8TCC7 1/20 0.64
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
PBRM1 Q86U86 1/20 0.53
PTPRC P08575 2/20 0.51
CTSL P07711 1/20 0.51
PTPN13 Q12923 1/20 0.51
HDAC1 Q13547 1/20 0.50
PLA2G10 O15496 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
MAPK1 P28482 1/20 0.49
KDM4C Q9H3R0 1/20 0.49

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
SCHEMBL1840451 0.87 KDM4E (0.60) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL8298056 0.86 KDM4E (0.53) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL10630944 0.84 ALDH1A1 (0.57) KDM4EALDH1A1SMN1; SMN2PBRM1HDAC1
SCHEMBL27371604 0.83 ITGB3 (0.54) KDM4EALDH1A1SMN1; SMN2PBRM1HDAC1
SCHEMBL29780425 0.82 KDM4E (0.56) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL6160025 0.82 MAPK1 (0.60) KDM4EALDH1A1HPGDSMN1; SMN2PBRM1
SCHEMBL2398642 0.82 KDM4E (0.67) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL9576605 0.81 LMNA (0.62) KDM4EALDH1A1HPGDSMN1; SMN2CA1
SCHEMBL12516004 0.81 SMN1; SMN2 (0.62) KDM4EALDH1A1SMN1; SMN2PBRM1NPSR1
SCHEMBL29944886 0.81 KDM4E (0.62) KDM4EALDH1A1SMN1; SMN2PBRM1NPSR1

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
WO-2019182070-A1 LIQUID CRYSTAL ALIGNING AGENT, POLYMER FOR OBTAINING SAME, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME 日産化学株式会社 2019-09-26 WO disclosed
US-9073966-B2 Inhibition of sweat malodor FIRMENICH SA (CH) 2015-07-07 US disclosed
CN-101107263-B Inhibition of sweat malodour FIRMENICH & CIE 2014-08-27 CN disclosed
US-20120244098-A1 INHIBITION OF SWEAT MALODOR FIRMENICH SA (CH) 2012-09-27 US disclosed
EP-1846436-B1 INHIBITION OF SWEAT MALODOUR FIRMENICH & CIE (CH) 2012-09-12 EP disclosed
US-8206692-B2 Inhibition of sweat malodor FIRMENICH SA (CH) 2012-06-26 US disclosed
US-20080025935-A1 INHIBITION OF SWEAT MALODOR FIRMENICH SA (CH) 2008-01-31 US disclosed
CN-101107263-A Inhibition of sweat malodour FIRMENICH & CIE (CH) 2008-01-16 CN disclosed
EP-1846436-A2 INHIBITION OF SWEAT MALODOUR Firmenich S.A. (CH) 2007-10-24 EP disclosed
WO-2006079934-A2 INHIBITION OF SWEAT MALODOUR FIRMENICH SA (CH) 2006-08-03 WO disclosed
US-6831199-B1 In order to avoid bleeding side-effects when treating the conditions associated with integrin alpha v beta 3, it is beneficial to have compounds which are selective antagonists for alpha v beta 3 versus alpha IIb beta 3 G. D. SEARLE & CO. 2004-12-14 US disclosed
CN-1085980-C Meta-guanidino, ureido, thioureido or azacyclic aminobenzoic acid derivatives as integrin antagonists SEARLE & CO (US) 2002-06-05 CN disclosed
EP-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP disclosed
US-6028223-A AN INTEGRIN ANTAGONISTS TREATING BONE DISORDER, PERIODONTAL DISEASE, OSTEOPOROSIS, HUMORAL HYPERCALCEMIA OF MALIGNANCY, PAGET'S DISEASE, TUMOR ANGIOGENESIS, DIABETIC RETINOPATHY, ARTHRITIS, SMOOTH MUSCLE CELL MIGRATION AND RESTENOSIS G. D. SEARLE & CO. (US) 2000-02-22 US disclosed
CN-1201454-A Meta-guanidino, ureido, thioureido or azacyclic aminobenzoic acid derivatives as integrin antagonists SEARLE & CO (US) 1998-12-09 CN disclosed
EP-0850221-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1998-07-01 EP disclosed
WO-1997008145-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-03-06 WO disclosed
EP-0661994-A1 METHOD OF PROPHYLAXIS OF ACUTE RENAL FAILURE GENENTECH, INC. (US) 1995-07-12 EP disclosed
WO-1994006461-A1 METHOD OF PROPHYLAXIS OF ACUTE RENAL FAILURE GENENTECH, INC. (US) 1994-03-31 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 (2 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-20120244098-A1 INHIBITION OF SWEAT MALODOR SQOR, MAL2, TST KDM4E 3540/4885MAPT 3985/4885HIF1A 4265/4885
US-20080025935-A1 INHIBITION OF SWEAT MALODOR MAL2, SQOR, TST KDM4E 3485/4885MAPT 3758/4885HIF1A 4126/4885

“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.