SCHEMBL5493301

SCHEMBL5493301

O=C(NC(=O)c1ccc2nccnc2c1)Nc1ccc(C(=O)O)cc1.[NaH]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.55
NPC1 O15118 12/20 0.55
MAPT P10636 7/20 0.55
SMN1; SMN2 Q16637 7/20 0.55
TP53 P04637 4/20 0.55
GAA P10253 4/20 0.53
KMT2A Q03164 8/20 0.52
MEN1 O00255 7/20 0.52
ALDH1A1 P00352 4/20 0.52
HSD17B10 Q99714 3/20 0.52
HTT P42858 2/20 0.52
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
MAPK1 P28482 1/20 0.52
PKM P14618 2/20 0.50
MITF O75030 1/20 0.50
XBP1 P17861 1/20 0.50
PAX8 Q06710 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PYGL P06737 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
SCHEMBL5495384 0.99 RAB9A (0.56) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL5491211 0.87 HPSE (0.53) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL5496806 0.86 HPSE (0.54) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL5493296 0.85 RAB9A (0.54) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL5491231 0.84 ACLY (0.51) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL5487242 0.84 PYGL (0.54) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL27509542 0.83 SMN1; SMN2 (0.58) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL5491138 0.83 PYGL (0.52) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL5496386 0.83 ACLY (0.52) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL5496866 0.82 BRAF (0.48) RAB9ANPC1MAPTSMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297696-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2007-11-20 US disclosed
EP-1363897-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2005-12-21 EP disclosed
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof LABORDE EDGARDO (US) 2005-03-10 US disclosed
US-6809113-B2 FOR THERAPY OF ARTHRITIS, ASTHMA, ATHEROSCLEROSIS, DIABETIC NEPHROPATHY, INFLAMMATORY BOWEL DISEASE, CROHN'S DISEASE, MULTIPLE SCLEROSIS, NEPHRITIS, PANCREATITIS, PULMONARY FIBROSIS, PSORIASIS, RESTENOSIS TRANSPLANT REJECTION TELIK, INC. 2004-10-26 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 (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-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 RAB9A 3249/4885NPC1 686/4885MAPT 1663/4885

“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.