SCHEMBL4890810

SCHEMBL4890810

c1ccc(COc2ccc3cc(-c4ccccc4)[nH]c3c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.57
MAOB P27338 2/20 0.52
ACHE P22303 1/20 0.52
FLT3 P36888 1/20 0.52
NPC1 O15118 4/20 0.51
RAB9A P51151 3/20 0.51
CTSV O60911 1/20 0.50
CTSL P07711 1/20 0.50
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
SRD5A2 P31213 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CASP3 P42574 2/20 0.49
SENP8 Q96LD8 2/20 0.49
SENP7 Q9BQF6 2/20 0.49

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
SCHEMBL4890578 0.88 KDM4E (0.64) ALOX5MAOBFLT3NPC1RAB9A
SCHEMBL2757822 0.87 ALOX5 (0.49) ALOX5MAOBACHEFLT3NPC1
SCHEMBL6535073 0.85 NPC1 (0.61) ALOX5NPC1RAB9APDGFRBPDGFRA
SCHEMBL30751162 0.85 NPC1 (0.61) ALOX5NPC1RAB9APDGFRBPDGFRA
SCHEMBL4147002 0.84 KDM4E (0.61) ALOX5MAOBFLT3NPC1RAB9A
SCHEMBL1484242 0.84 ALOX5 (0.46) ALOX5MAOBACHEFLT3CTSV
SCHEMBL1605965 0.83 BACE1 (0.50) ALOX5MAOBNPC1RAB9AKDM4E
SCHEMBL14294248 0.81 CTSV (0.55) NPC1RAB9ACTSVCTSLKDM4E
SCHEMBL9265187 0.81 ALOX5 (0.58) ALOX5MAOBACHEFLT3NPC1
SCHEMBL31498189 0.81 ALOX5 (0.58) ALOX5MAOBACHEFLT3NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
EP-1817283-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF Lautens, Mark (CA) 2007-08-15 EP disclosed
WO-2006047888-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2006-05-11 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-20080039625-A1 Screening Methods CBR3, ZKSCAN2, CRBN ALOX5 2977/4885MAOB 215/4885ACHE 1954/4885

“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.