SCHEMBL4957181

SCHEMBL4957181

ClCOc1ccc2c(OCCl)c3ccccc3nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
GLA P06280 1/20 0.46
KDM1A O60341 2/20 0.44
POLB P06746 3/20 0.43
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
KCNA3 P22001 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
RAD52 P43351 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 3/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38

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
SCHEMBL8410663 0.86 CASP7 (0.55) KMT2AKDM4EMAPTGLAKDM1A
SCHEMBL29211663 0.80 DRD3 (0.46) KDM1ARAB9ANPC1
SCHEMBL20475261 0.80 MEN1 (0.58) KMT2AKDM4EMAPTGLAPOLB
SCHEMBL29566948 0.74 MAOA (0.55) KMT2AKDM4EMAPTPOLBMAOA
SCHEMBL3343039 0.73 POLB (0.52) KMT2AKDM4EMAPTGLAKDM1A
Benzene SCHEMBL27935642 0.69 CYP3A4 (0.67) KMT2APOLBMEN1RAB9ANPC1
SCHEMBL3349292 0.69 POLB (0.61) KMT2AKDM4EMAPTGLAKDM1A
SCHEMBL29488275 0.69 POLB (0.61) KMT2AKDM4EMAPTGLAKDM1A
SCHEMBL30481065 0.68
SCHEMBL19583344 0.68 POLB (0.55) KMT2AKDM4EMAPTGLAKDM1A

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
CN-115286574-A BLVRB enzyme function inhibitor and preparation method and application thereof 吉林医药学院 2022-11-04 CN claimed
CN-115286574-B BLVRB enzyme function inhibitor and preparation method and application thereof 吉林医药学院 2023-07-11 CN disclosed
CN-115286574-A BLVRB enzyme function inhibitor and preparation method and application thereof 吉林医药学院 2022-11-04 CN disclosed
US-20220306603-A1 TARGETING DNA REPAIR IN TUMOR CELLS VIA INHIBITION OF ERCC1-XPF THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2022-09-29 US disclosed
WO-2020248075-A9 TARGETING DNA REPAIR IN TUMOR CELLS VIA INHIBITION OF ERCC1-XPF THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2021-10-21 WO disclosed
WO-2020248075-A1 TARGETING DNA REPAIR IN TUMOR CELLS VIA INHIBITION OF ERCC1-XPF THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2020-12-17 WO disclosed
US-20080051323-A1 Chloroquine drug compositions and methods for their synthesis KOSAK KENNETH M 2008-02-28 US disclosed
WO-2007040469-A2 CHLOROQUINE COUPLED COMPOSITIONS AND METHODS FOR THEIR SYNTHESIS KOSAK KEN M (US) 2007-04-12 WO disclosed
US-20070060499-A1 Chloroquine combination drugs and methods for their synthesis KOSAK KENNETH M 2007-03-15 US disclosed
US-20060040879-A1 Chloroquine coupled nucleic acids and methods for their synthesis KOSAK KENNETH M 2006-02-23 US 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 (4 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-20070060499-A1 Chloroquine combination drugs and methods for their synthesis CHMP4B, CTSA, CLTA KMT2A 2669/4885KDM4E 2153/4885MAPT 1343/4885
US-20080051323-A1 Chloroquine drug compositions and methods for their synthesis CHMP4B, CTSA, CLTA KMT2A 2583/4885KDM4E 2091/4885MAPT 1241/4885
US-20220306603-A1 TARGETING DNA REPAIR IN TUMOR CELLS VIA INHIBITION OF ERCC1-XPF ERCC4, ERCC1, ERCC2 KMT2A 4151/4885KDM4E 3255/4885MAPT 4637/4885
US-20060040879-A1 Chloroquine coupled nucleic acids and methods for their synthesis TLR9, TLR3, EXOSC5 KMT2A 2007/4885KDM4E 3418/4885MAPT 2288/4885

“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.