SCHEMBL2746375

SCHEMBL2746375

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
MEN1 O00255 3/20 0.54
POLB P06746 2/20 0.50
KDM4E B2RXH2 2/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NR1H4 Q96RI1 6/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TP53 P04637 2/20 0.48
FFAR1 O14842 2/20 0.48
ALDH1A1 P00352 1/20 0.48
RORC P51449 1/20 0.47
GLA P06280 1/20 0.46
MITF O75030 1/20 0.46

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
SCHEMBL13849278 0.82 MEN1 (0.61) KMT2AMEN1POLBKDM4ETSHR
SCHEMBL8854032 0.80 KMT2A (0.48) KMT2AMEN1POLBKDM4ETSHR
SCHEMBL4529320 0.79 MEN1 (0.57) KMT2AMEN1POLBKDM4ETSHR
SCHEMBL4099538 0.79 KMT2A (0.57) KMT2AMEN1POLBKDM4ETSHR
SCHEMBL10457090 0.77 MEN1 (0.65) KMT2AMEN1POLBKDM4ETSHR
Hydrochloric Acid SCHEMBL7319435 0.77 KMT2A (0.56) KMT2AMEN1POLBKDM4ETSHR
SCHEMBL2746644 0.77 CA2 (0.50) KMT2AMEN1TSHRTDP1NR1H4
SCHEMBL10457088 0.76 KMT2A (0.62) KMT2AMEN1POLBKDM4ETSHR
SCHEMBL11355706 0.75 MEN1 (0.57) KMT2AMEN1POLBKDM4ETSHR
SCHEMBL8689095 0.75 MEN1 (0.62) KMT2AMEN1POLBKDM4ENR1H4

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 KMT2A 1830/4885MEN1 4876/4885POLB 1041/4885
US-20080234380-A1 Compositions and method for treatment of chronic inflammatory diseases HMGB1, PCCA, QSOX1 KMT2A 1426/4885MEN1 4870/4885POLB 1142/4885

“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.