SCHEMBL7879528

SCHEMBL7879528

CCc1cccc(C(C)=NO)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
HPGD P15428 3/20 0.45
HTT P42858 2/20 0.45
GFER P55789 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
BCL2 P10415 1/20 0.41
SMYD3 Q9H7B4 1/20 0.40
FURIN P09958 1/20 0.40
KAT6A Q92794 1/20 0.40
CNR2 P34972 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 3/20 0.39
CYP2C19 P33261 2/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL14114075 1.00 KDM4E (0.45) KDM4EHPGDHTTGFERCASP3
SCHEMBL8449043 0.80 PPARG (0.43) HTTLMNARAB9ANPC1LOXL2
SCHEMBL7910552 0.80 LPL (0.53)
SCHEMBL16954571 0.79 BCL2 (0.46) BCL2SMYD3KAT6ACNR2LOXL2
SCHEMBL10178105 0.79 CNR2 (0.42) BCL2SMYD3KAT6ACNR2LOXL2
SCHEMBL21535793 0.79 BCL2 (0.37) KDM4EBCL2SMYD3FURINKAT6A
SCHEMBL8469074 0.79 PPARG (0.51) HPGDHTTLMNACNR2RAB9A
SCHEMBL27975833 0.78 CYP4F2 (0.39) BCL2SMYD3KAT6ACNR2LOXL2
SCHEMBL15896436 0.77 PPARG (0.48)
SCHEMBL1363307 0.76 BCL2 (0.43) BCL2SMYD3KAT6ACNR2LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076088-A1 Thrombin Receptor Antagonists SCHERING CORPORATION 2009-03-19 US disclosed
US-20090069383-A1 Thrombin Receptor Antagonists SCHERING CORPORATION 2009-03-12 US disclosed
US-7488742-B2 Thrombin receptor antagonists SCHERING CORPORATION (US) 2009-02-10 US disclosed
US-20040152736-A1 Thrombin receptor antagonists TOPROL ACQUISITION LLC 2004-08-05 US disclosed
US-6172091-B1 METABOLIC CALCIUM IMBALANCE AND OSTEOPOROSIS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-01-09 US disclosed
WO-2000021910-A2 1,2-DISUBSTITUTED CYCLOPROPANES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-04-20 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 (3 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-20090076088-A1 Thrombin Receptor Antagonists CNR1, CNR2, TBXA2R KDM4E 4093/4885HPGD 969/4885HTT 3629/4885
US-20040152736-A1 Thrombin receptor antagonists CNR1, TBXA2R, CNR2 KDM4E 4442/4885HPGD 1055/4885HTT 3552/4885
US-20090069383-A1 Thrombin Receptor Antagonists CNR1, CNR2, TBXA2R KDM4E 4093/4885HPGD 969/4885HTT 3629/4885

“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.