SCHEMBL3265545

SCHEMBL3265545

COc1cccc(CON=C(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.57
AGXT P21549 2/20 0.57
CYP3A4 P08684 2/20 0.53
MAOB P27338 4/20 0.50
ABCB1 P08183 1/20 0.49
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
TAAR1 Q96RJ0 3/20 0.49
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL17986352 0.81 IDO1 (0.62) IDO1AGXTMAOBABCB1HTR1A
SCHEMBL2755831 0.79 IDO1 (0.55) IDO1CYP3A4MAOBTAAR1CYP2C9
SCHEMBL25923623 0.79 CYP3A4 (0.55) IDO1AGXTCYP3A4MAOBCYP2C9
SCHEMBL27916338 0.79 IDO1 (0.61) IDO1AGXTMAOBABCB1HTR1A
SCHEMBL15504890 0.79 IDO1 (0.52) IDO1AGXTMAOBKDM4ESMN1; SMN2
SCHEMBL25923622 0.78 IDO1 (0.53) IDO1AGXTCYP3A4MAOBTAAR1
SCHEMBL3389080 0.77 IDO1 (0.67) IDO1AGXTMAOBTAAR1
SCHEMBL17986299 0.77 IDO1 (0.57) IDO1AGXTMAOBABCB1HTR1A
SCHEMBL14748298 0.77 IDO1 (0.57) IDO1AGXTMAOBABCB1HTR1A
SCHEMBL17986298 0.77 IDO1 (0.57) IDO1AGXTMAOBABCB1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383813-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2013-02-26 US disclosed
US-20120004253-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2012-01-05 US disclosed
US-8044064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2011-10-25 US disclosed
US-8044064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2011-10-25 US disclosed
EP-1704148-B1 NOVEL FUSED PYRROLOCARBAZOLES CEPHALON INC (US) 2011-03-02 EP disclosed
US-20100152196-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2010-06-17 US disclosed
US-20100152196-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2010-06-17 US disclosed
US-7671064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2010-03-02 US disclosed
US-7671064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2010-03-02 US disclosed
US-7169802-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2007-01-30 US disclosed
WO-2005063763-A1 NOVEL FUSED PYRROLOCARBAZOLES CEPHALON, INC. (US) 2005-07-14 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 (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-20100152196-A1 Novel Fused Pyrrolocarbazoles PC, PYCR1, CYP11B2 IDO1 1237/4885AGXT 710/4885CYP3A4 42/4885
US-20120004253-A1 Novel Fused Pyrrolocarbazoles PC, PYCR1, CYP11B2 IDO1 1237/4885AGXT 710/4885CYP3A4 42/4885

“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.