SCHEMBL6300638

SCHEMBL6300638

N#Cc1cccc(N(N)C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.43
KCNN4 O15554 1/20 0.43
KCNA5 P22460 1/20 0.43
GSK3B P49841 2/20 0.42
XDH P47989 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
ENPP2 Q13822 1/20 0.41
LMNA P02545 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
MEP1A Q16819 1/20 0.39
MEP1B Q16820 1/20 0.39
TSHR P16473 1/20 0.39
NOTUM Q6P988 1/20 0.38
MMP12 P39900 1/20 0.38

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
SCHEMBL22251793 0.82 MEN1 (0.44) FFAR1MEN1KMT2AALDH1A1MAPT
SCHEMBL14697483 0.79 KCNA5 (0.46) FFAR1MEN1KMT2AALDH1A1MAPT
SCHEMBL9779957 0.79 FFAR1 (0.50) FFAR1MEN1KMT2AALDH1A1MAPT
SCHEMBL6378412 0.77 TSHR (0.48) FFAR1ALDH1A1MAPTKCNN4KCNA5
SCHEMBL9899832 0.76 PDK1 (0.42) FFAR1MEN1KMT2AALDH1A1MAPT
SCHEMBL5263127 0.76 GSK3B (0.46) FFAR1ALDH1A1MAPTKCNN4KCNA5
Bicarbonate SCHEMBL11598627 0.75 GSK3B (0.55) FFAR1MEN1KMT2AALDH1A1MAPT
SCHEMBL28103825 0.74 KAT6A (0.36) FFAR1MEN1KMT2AALDH1A1MAPT
SCHEMBL5677724 0.74 ENPP2 (0.46) FFAR1MEN1KMT2AALDH1A1MAPT
SCHEMBL5253030 0.74 TSHR (0.44) FFAR1MEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6849626-B2 Aza-amino acid derivatives (factor Xa inhibitors 15) MERCK PATENT GMBH (DE) 2005-02-01 US disclosed
US-20040034072-A1 Aza-amino acid derivatives (factor Xa inhibitors 15) MERCK PATENT GMBH (DE) 2004-02-19 US disclosed
CN-1469860-A Aza-amino acid derivatives (factor XA-inhibitors 15) Ĭ��ר���ɷ����޹�˾ 2004-01-21 CN 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 (1 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-20040034072-A1 Aza-amino acid derivatives (factor Xa inhibitors 15) AZI2, F11, SERPINE1 FFAR1 1052/4885MEN1 1124/4885KMT2A 1175/4885

“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.