SCHEMBL6037535

SCHEMBL6037535

Cc1ccc(N(C(N)=O)c2ccccc2Cl)c(O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.42
RAB9A P51151 6/20 0.42
MEN1 O00255 5/20 0.42
LMNA P02545 4/20 0.42
KDM4E B2RXH2 3/20 0.42
CXCR2 P25025 1/20 0.38
MAPK14 Q16539 1/20 0.37
GRM2 Q14416 1/20 0.37
NPC1 O15118 4/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 2/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL6037570 0.85 TP53 (0.38) KMT2ARAB9AMEN1LMNACXCR2
SCHEMBL27515970 0.83 PTK2 (0.36) KMT2ARAB9AMEN1LMNACXCR2
SCHEMBL6256662 0.81 CES2 (0.41) KMT2ALMNAKDM4EMAPK14ALDH1A1
SCHEMBL6820216 0.79 KMT2A (0.46) KMT2ARAB9AMEN1LMNACXCR2
SCHEMBL6037538 0.75 IDO1 (0.42) KMT2ARAB9AMEN1LMNAKDM4E
SCHEMBL28757170 0.72 NPSR1 (0.47) KMT2ARAB9AMEN1MAPK14NPC1
SCHEMBL28099847 0.71 CYP3A4 (0.43) KMT2AMEN1MAPK14ALDH1A1SMN1; SMN2
SCHEMBL6037482 0.71 TRPM8 (0.40) KMT2ARAB9AMEN1LMNAKDM4E
SCHEMBL6824297 0.70 DAO (0.36) KMT2ARAB9AMEN1LMNAKDM4E
SCHEMBL27479308 0.70 CES2 (0.39) KMT2ARAB9ALMNAMAPK14NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US claimed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US claimed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP claimed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US claimed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP claimed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO claimed
US-20060166866-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2006-07-27 US disclosed
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US disclosed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US disclosed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP disclosed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US disclosed
EP-1142867-A2 Cell adhesion inhibitors BIOGEN, INC. (US) 2001-10-10 EP 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-20060166866-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM KMT2A 3376/4885RAB9A 1779/4885MEN1 1437/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM KMT2A 3376/4885RAB9A 1779/4885MEN1 1437/4885

“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.