SCHEMBL4024812

SCHEMBL4024812

CNC(=O)c1cc2ccccc2n1Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 0.56
PPARG P37231 4/20 0.52
KMT2A Q03164 1/20 0.51
F10 P00742 2/20 0.51
NOD2 Q9HC29 1/20 0.50
NOD1 Q9Y239 1/20 0.50
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
SRD5A2 P31213 1/20 0.48
KLKB1 P03952 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.46
PLA2G4A P47712 1/20 0.46
BCL2 P10415 1/20 0.46
BID P55957 1/20 0.46
MCL1 Q07820 1/20 0.46

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
SCHEMBL6302375 0.79 CCR2 (0.76) CCR2
SCHEMBL4701221 0.78 NPC1 (0.54) CCR2KMT2AKDM4EALDH1A1MAPT
SCHEMBL4023308 0.78 MTNR1A (0.47) PPARGKMT2AKDM4EALDH1A1KLKB1
SCHEMBL29258467 0.76 CCR2 (0.64) CCR2PPARGKMT2AF10NOD2
SCHEMBL4023414 0.76 SRD5A2 (0.78) KMT2AF10KDM4EALDH1A1POLB
SCHEMBL7884326 0.76 KMT2A (0.72) CCR2KMT2AF10NOD2NOD1
SCHEMBL3964251 0.75 CCR2 (0.74) CCR2KMT2ANOD2NOD1ALDH1A1
SCHEMBL29433700 0.75 CCR2 (0.74) CCR2KMT2ANOD2NOD1ALDH1A1
SCHEMBL2826893 0.75 FFAR1 (0.60)
SCHEMBL7242268 0.74 F10 (0.58) CCR2PPARGKMT2AF10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171428-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2009-06-17 EP disclosed
EP-1171428-A4 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2004-09-15 EP disclosed
US-6765005-B2 BACTERICIDES; ENZYME INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2004-07-20 US disclosed
US-20030139377-A1 Fab I inhibitors SMITHKLINE BEECHAM CORPORATION 2003-07-24 US disclosed
US-6503903-B1 Administering 3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carboxamide derivative SMITHKLINE BEECHAM CORPORATION 2003-01-07 US disclosed
EP-1171428-A1 FAB I INHIBITORS SmithKline Beecham Corporation (US) 2002-01-16 EP disclosed
WO-2000063187-A1 FAB I INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-10-26 WO 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-20030139377-A1 Fab I inhibitors SERPINB1, TFPI, TFPI2 CCR2 3198/4885PPARG 3945/4885KMT2A 4421/4885

“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.