SCHEMBL5778149

SCHEMBL5778149

O=CN(C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc2ocnc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CSF1R P07333 3/20 0.44
EPHX2 P34913 1/20 0.38
TGM2 P21980 1/20 0.37
MTOR P42345 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
NAMPT P43490 1/20 0.36
MAPT P10636 1/20 0.36
KDR P35968 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
ATF1 P18846 1/20 0.35
NFKB1 P19838 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL5783131 0.92 NPC1 (0.45) NPC1RAB9ASMN1; SMN2CSF1REPHX2
SCHEMBL5780199 0.92 NPC1 (0.40) NPC1RAB9ASMN1; SMN2CSF1RMEN1
SCHEMBL5777684 0.89 TP53 (0.47) NPC1RAB9ASMN1; SMN2CSF1RMEN1
SCHEMBL5779154 0.88 NPC1 (0.47) NPC1RAB9ASMN1; SMN2CSF1RTGM2
SCHEMBL5779995 0.86 RAB9A (0.47) NPC1RAB9ASMN1; SMN2CSF1REPHX2
SCHEMBL5781453 0.83 NPC1 (0.40) NPC1RAB9ASMN1; SMN2NAMPTMAPT
SCHEMBL5489392 0.82 MAPT (0.43) NPC1RAB9ASMN1; SMN2CSF1REPHX2
SCHEMBL5779444 0.82 NPC1 (0.46) NPC1RAB9ASMN1; SMN2CSF1REPHX2
SCHEMBL5778499 0.81 TP53 (0.47) NPC1RAB9ASMN1; SMN2CSF1RMEN1
SCHEMBL5779748 0.79 NPC1 (0.47) NPC1RAB9ASMN1; SMN2TGM2MEN1

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-1383757-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2006-09-27 EP claimed
US-20040127513-A1 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. 2004-07-01 US claimed
EP-1383757-A1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2004-01-28 EP claimed
US-6677365-B2 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE; RHEUMATIC DISEASES; CARDIOVASCULAR DISORDERS TELIK, INC. 2004-01-13 US claimed
WO-2002081463-A1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-10-17 WO claimed
EP-1383757-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2006-09-27 EP disclosed
US-6998407-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2006-02-14 US disclosed
US-6677365-B2 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE; RHEUMATIC DISEASES; CARDIOVASCULAR DISORDERS TELIK, INC. 2004-01-13 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-20040127513-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 NPC1 689/4885RAB9A 3041/4885SMN1; SMN2 3130/4885

“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.