SCHEMBL5494516

SCHEMBL5494516

O=CN(C(=O)Nc1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.47
▸ NPC1 O15118 7/20 0.47
▸ PKM P14618 2/20 0.47
▸ KMT2A Q03164 4/20 0.45
▸ MAPT P10636 5/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ F13A1 P00488 1/20 0.44
▸ TGM2 P21980 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ MAOB P27338 2/20 0.44
▸ NFKB1 P19838 2/20 0.44
▸ NFKB2 Q00653 2/20 0.44
▸ RELA Q04206 2/20 0.44
▸ MITF O75030 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ CASP3 P42574 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43

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
SCHEMBL5782160 0.94 CASP3 (0.51) RAB9ANPC1PKMKMT2AMAPT
SCHEMBL5496285 0.88 NPC1 (0.51) RAB9ANPC1PKMKMT2AMAPT
SCHEMBL5493814 0.87 NPC1 (0.45) RAB9ANPC1PKMKMT2AMAPT
SCHEMBL5491157 0.87 RAB9A (0.58) RAB9ANPC1PKMKMT2AMAPT
SCHEMBL5495788 0.87 NPC1 (0.45) RAB9ANPC1PKMKMT2AMAPT
SCHEMBL5496710 0.84 MAOB (0.59) RAB9ANPC1KMT2AMAPTTGM2
SCHEMBL5491158 0.84 NPC1 (0.45) RAB9ANPC1PKMKMT2AMAPT
SCHEMBL5494106 0.84 NPC1 (0.59) RAB9ANPC1KMT2AMAPTSMN1; SMN2
SCHEMBL5491134 0.84 NPC1 (0.59) RAB9ANPC1KMT2AMAPTSMN1; SMN2
SCHEMBL5494712 0.83 NPC1 (0.53) RAB9ANPC1PKMMAPTSMN1; SMN2

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 8 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
EP-1363897-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2003-11-26 — — EP 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
WO-2002070509-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-09-12 — — WO claimed
US-7297696-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2007-11-20 — — US 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 (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-20030105085-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 RAB9A 3267/4885NPC1 877/4885PKM 3308/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 RAB9A 3249/4885NPC1 686/4885PKM 3702/4885

“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.

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