SCHEMBL4022261

SCHEMBL4022261

CNCc1cc2ccccc2n1Cc1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.48
HDAC6 Q9UBN7 2/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
CCR2 P41597 5/20 0.43
AGTR1 P30556 1/20 0.43
AGTR2 P50052 1/20 0.43
HDAC10 Q969S8 1/20 0.43
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
NOD2 Q9HC29 1/20 0.41
NOD1 Q9Y239 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL4438165 0.88 CCR2 (0.51) PPARGCCR2AGTR1AGTR2LMNA
SCHEMBL4023308 0.82 MTNR1A (0.47) PPARGMTNR1AMTNR1BKMT2ATP53
SCHEMBL2276554 0.77 KMT2A (0.42) PPARGPOLBMTNR1AMTNR1BKMT2A
SCHEMBL27990422 0.74 L3MBTL1 (0.56) CCR2POLBKMT2A
SCHEMBL31402270 0.71 CCR2 (0.59) PPARGCCR2AGTR1AGTR2LMNA
SCHEMBL4802191 0.71 CCR2 (0.59) PPARGCCR2AGTR1AGTR2LMNA
SCHEMBL6086127 0.71 CCR2 (0.57) PPARGCCR2AGTR1AGTR2LMNA
SCHEMBL1092961 0.71 KDM1A (0.55) POLBKMT2A
SCHEMBL25677980 0.70 LMNA (0.52) PPARGHDAC6HDAC1HDAC2HDAC8
SCHEMBL6705831 0.70 PPARG (0.47) PPARGHDAC6HDAC1HDAC2HDAC8

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 PPARG 3945/4885HDAC6 276/4885HDAC1 109/4885

“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.