SCHEMBL2746644

SCHEMBL2746644

NN=C(N)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.50
CA1 P00915 3/20 0.50
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MITF O75030 1/20 0.49
FFAR1 O14842 1/20 0.47
CA12 O43570 4/20 0.46
CA9 Q16790 4/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
PTPN11 Q06124 1/20 0.46
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
F2 P00734 3/20 0.45
PRSS1 P07477 3/20 0.45
PRSS2 P07478 3/20 0.45
PRSS3 P35030 3/20 0.45

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
SCHEMBL7296946 0.85 ALDH1A1 (0.50) CA2CA1ALDH1A1MEN1KMT2A
SCHEMBL7521048 0.79 PEPD (0.61) CA2CA1ALDH1A1MEN1KMT2A
SCHEMBL4104665 0.79 SIGMAR1 (0.71) CA2CA1ALDH1A1KMT2AFFAR1
Urea SCHEMBL4746502 0.78 EPHX2 (0.65) CA2ALDH1A1MEN1KMT2AMITF
SCHEMBL5874711 0.78 CA12 (0.44) CA2ALDH1A1MEN1KMT2AMITF
SCHEMBL11655504 0.77 GRIN2D (0.63) ALDH1A1KMT2ALMNATDP1TP53
SCHEMBL10625419 0.77 GRIN2D (0.63) ALDH1A1KMT2ALMNATDP1TP53
SCHEMBL2746375 0.77 KMT2A (0.54) ALDH1A1MEN1KMT2AMITFFFAR1
SCHEMBL7287083 0.76 KMT2A (0.43) CA2CA1ALDH1A1MEN1KMT2A
SCHEMBL1110923 0.76 ALDH1A1 (0.63) CA2CA1ALDH1A1MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178516-B2 Composition of 4-guanidinobenzoic acid HCl, a co-agent suitable for systemic administration solely via the oral route, antioxidants, vitamins, metabolites Sylvan Labs, LLC (US) 2012-05-15 US disclosed
US-20080234380-A1 Compositions and method for treatment of chronic inflammatory diseases SHAPIRO HOWARD K 2008-09-25 US disclosed
US-20050090553-A1 Compositions and method for treatment of chronic inflammatory diseases SECANT PHARMA, LLC 2005-04-28 US disclosed
EP-0759750-A4 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 1998-05-27 EP disclosed
EP-0759750-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO, Howard, K. (US) 1997-03-05 EP disclosed
WO-1995031194-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 1995-11-23 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-20050090553-A1 Compositions and method for treatment of chronic inflammatory diseases PCCA, HMGB1, PTGES CA2 1000/4885CA1 1403/4885ALDH1A1 68/4885
US-20080234380-A1 Compositions and method for treatment of chronic inflammatory diseases HMGB1, PCCA, QSOX1 CA2 1023/4885CA1 1105/4885ALDH1A1 59/4885

“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.