SCHEMBL5353485

SCHEMBL5353485

C1=CC(c2cc3ccccc3[nH]2)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.38
BRD4 O60885 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
FLT3 P36888 1/20 0.35
CYP2A6 P11509 1/20 0.35
KDM4E B2RXH2 4/20 0.34
MAPT P10636 3/20 0.34
DAO P14920 2/20 0.34
HPGD P15428 2/20 0.34
SRD5A2 P31213 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DDO Q99489 1/20 0.34
CA2 P00918 1/20 0.33
ALDH1A1 P00352 3/20 0.33
CHEK1 O14757 1/20 0.33
KDR P35968 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL4899647 0.88 AOC3 (0.34) AOC3BRD4NPC1RAB9ALOXL2
SCHEMBL6685944 0.75 AOC3 (0.36) AOC3BRD4NPC1RAB9ALOXL2
SCHEMBL27537895 0.74 AOC3 (0.35) AOC3BRD4NPC1RAB9ALOXL2
SCHEMBL30317892 0.71 AOC3 (0.35) AOC3BRD4NPC1RAB9ALOXL2
SCHEMBL8125536 0.71 AOC3 (0.35) AOC3BRD4NPC1RAB9ALOXL2
SCHEMBL3252691 0.71 BRD4 (0.38) AOC3BRD4NPC1RAB9ALOXL2
Hydrochloric Acid SCHEMBL8459514 0.69 BRD4 (0.34) AOC3BRD4
Hydrochloric Acid SCHEMBL8461734 0.69 BRD4 (0.34) AOC3BRD4CYP2A6
Hydrochloric Acid SCHEMBL8462844 0.68 AOC3 (0.33) AOC3BRD4NPC1RAB9ALOXL2
Hydrochloric Acid SCHEMBL8463623 0.68 AOC3 (0.33) AOC3BRD4NPC1RAB9ALOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291732-B2 Isomeric fused pyrrolocarbazoles and isoindolones CEPHALON, INC. (US) 2007-11-06 US disclosed
US-20050107458-A1 Isomeric fused pyrrolocarbazoles and isoindolones CEPHALON, INC. (US) 2005-05-19 US disclosed
US-6872746-B2 Isomeric fused pyrrolocarbazoles and isoindolones CEPHALON, INC. (US) 2005-03-29 US disclosed
EP-1206473-B1 ISOMERIC FUSED PYRROLOCARBAZOLES AND ISOINDOLONES CEPHALON INC (US) 2004-10-20 EP disclosed
US-20030216419-A1 Isomeric fused pyrrolocarbazoles and isoindolones CEPHALON, INC. 2003-11-20 US disclosed
US-6635669-B2 Kinase inhibitor; benign prostatic hyperplasia CEPHALON, INC. 2003-10-21 US disclosed
US-20020147341-A1 Isomeric fused pyrrolocarbazoles and isoindolones CEPHALON, INC. 2002-10-10 US disclosed
US-6399780-B1 KINASE INHIBITORS; ANTICANCER AGENTS CEPHALON, INC. 2002-06-04 US disclosed
EP-1206473-A1 ISOMERIC FUSED PYRROLOCARBAZOLES AND ISOINDOLONES CEPHALON, INC. (US) 2002-05-22 EP disclosed
WO-2001014380-A1 ISOMERIC FUSED PYRROLOCARBAZOLES AND ISOINDOLONES CEPHALON, INC. (US) 2001-03-01 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-20030216419-A1 Isomeric fused pyrrolocarbazoles and isoindolones PIN1, QPCT, PAICS AOC3 3900/4885BRD4 231/4885NPC1 856/4885
US-20020147341-A1 Isomeric fused pyrrolocarbazoles and isoindolones PIN1, QPCT, PAICS AOC3 3900/4885BRD4 231/4885NPC1 856/4885
US-20050107458-A1 Isomeric fused pyrrolocarbazoles and isoindolones PIN1, QPCT, PAICS AOC3 3900/4885BRD4 231/4885NPC1 856/4885

“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.