SCHEMBL7984046

SCHEMBL7984046

O=C(Cl)C(=O)c1c(-c2ccccc2)cc2ccc(OCCCN3CCOCC3)cn12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.52
EPHX2 P34913 4/20 0.51
PRKAB2 O43741 1/20 0.48
PRKAG1 P54619 1/20 0.48
PRKAA2 P54646 1/20 0.48
PRKAA1 Q13131 1/20 0.48
PRKAG3 Q9UGI9 1/20 0.48
PRKAG2 Q9UGJ0 1/20 0.48
PRKAB1 Q9Y478 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HRH3 Q9Y5N1 3/20 0.47
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
HTR7 P34969 1/20 0.46
HTR6 P50406 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL1644958 0.88 EPHX2 (0.57) USP2EPHX2KDRALDH1A1
SCHEMBL3883019 0.75 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1POLBL3MBTL1
SCHEMBL1647297 0.75 ALDH1A1 (0.58) EPHX2NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL4554551 0.74 KDM4E (0.48) USP2NPC1RAB9AHRH3KDM4E
SCHEMBL11899308 0.73 RAB9A (0.83) USP2EPHX2NPC1RAB9AHRH3
SCHEMBL7997957 0.73 HRH3 (0.59) USP2EPHX2NPC1RAB9AHRH3
SCHEMBL7006505 0.71 MAPK1 (0.73) USP2EPHX2NPC1RAB9AHRH3
SCHEMBL11937424 0.71 BCHE (0.76) EPHX2HRH3BCHEACHEKDM4E
SCHEMBL1244065 0.70 HRH3 (0.69) USP2EPHX2HRH3KDM4ESMN1; SMN2
SCHEMBL3884848 0.69 SMN1; SMN2 (0.49) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1

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-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 US disclosed
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 US disclosed
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD. 2010-03-04 US disclosed
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD. 2010-03-04 US disclosed
WO-2009144473-A1 ANTIFUNGAL COMBINATION THERAPY F2G LIMITED (GB) 2009-12-03 WO disclosed
WO-2008062182-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2008-05-29 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-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY IDO1, FOXM1, IPO5 USP2 4733/4885EPHX2 4373/4885PRKAB2 4691/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 USP2 3475/4885EPHX2 3857/4885PRKAB2 3888/4885

“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.