SCHEMBL6180924

SCHEMBL6180924

O=C(NC(=O)c1ccc2c(c1)OCCO2)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.65
MEN1 O00255 5/20 0.65
MAOB P27338 6/20 0.64
NPC1 O15118 6/20 0.64
RAB9A P51151 6/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
PKM P14618 1/20 0.64
NFKB1 P19838 1/20 0.64
NFKB2 Q00653 1/20 0.64
RELA Q04206 1/20 0.64
HPGD P15428 3/20 0.61
MAPT P10636 6/20 0.60
ALDH1A1 P00352 4/20 0.60
CCR2 P41597 3/20 0.60
MAPK1 P28482 2/20 0.60
STAT1 P42224 1/20 0.60
TP53 P04637 1/20 0.58
LMNA P02545 3/20 0.58
TDP1 Q9NUW8 1/20 0.58
KDM4E B2RXH2 1/20 0.55

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
SCHEMBL5493371 0.99 KMT2A (0.64) KMT2AMEN1MAOBNPC1RAB9A
SCHEMBL4727727 0.89 KMT2A (0.81) KMT2AMEN1MAOBNPC1RAB9A
SCHEMBL6180069 0.87 CCR2 (0.64) KMT2AMEN1MAOBNPC1RAB9A
SCHEMBL5493367 0.87 MAOB (0.59) KMT2AMEN1MAOBNPC1RAB9A
SCHEMBL5493789 0.86 CCR2 (0.63) KMT2AMEN1MAOBNPC1RAB9A
SCHEMBL5493182 0.84 CCR2 (0.68) KMT2AMEN1MAOBNPC1RAB9A
SCHEMBL6180574 0.84 CCR2 (0.68) KMT2AMEN1MAOBNPC1RAB9A
SCHEMBL5496378 0.84 MAOB (0.60) KMT2AMEN1MAOBNPC1RAB9A
SCHEMBL5491086 0.83 CCR2 (0.67) KMT2AMEN1MAOBNPC1RAB9A
SCHEMBL5487634 0.82 CCR2 (0.64) KMT2AMEN1MAOBNPC1RAB9A

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
EP-1363897-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2005-12-21 EP claimed
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 claimed
US-20030105085-A1 Antagonists of MCP-1 function and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2003-06-05 US claimed

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-20030105085-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 KMT2A 4655/4885MEN1 2382/4885MAOB 2897/4885

“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.