SCHEMBL4957178

SCHEMBL4957178

COc1cccc2nc3cc(Cl)ccc3c(Cl)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
ELANE P08246 2/20 0.49
NQO2 P16083 5/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
DCPS Q96C86 1/20 0.45
AMY1A P0DUB6 1/20 0.45
NPC1 O15118 2/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
G6PD P11413 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAT2A P31153 1/20 0.40

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
SCHEMBL11194565 0.74 KDM4E (0.61) KDM4EALDH1A1HPGDNQO2MEN1
SCHEMBL17423119 0.74 POLB (0.55) KDM4EALDH1A1KMT2APOLBNR4A2
SCHEMBL23612613 0.74 NQO2 (0.74) KDM4EALDH1A1NQO2MEN1KMT2A
SCHEMBL9178411 0.74 NQO2 (0.74) KDM4EALDH1A1NQO2MEN1KMT2A
SCHEMBL9709249 0.73 MAOA (0.72) KDM4EALDH1A1HPGDNQO2POLB
SCHEMBL19460550 0.73 PPARG (0.46) KDM4EALDH1A1HPGDELANEMEN1
SCHEMBL901670 0.72 ALDH1A1 (0.47) KDM4EALDH1A1HPGDNQO2MEN1
SCHEMBL20535915 0.72 KDM4E (0.62) KDM4EALDH1A1NQO2MEN1KMT2A
SCHEMBL17792040 0.72 ACHE (0.49) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL13729067 0.72 ALDH1A1 (0.57) KDM4EALDH1A1HPGDELANENQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 2153/4885ALDH1A1 4767/4885HPGD 4728/4885
US-20080051323-A1 Chloroquine drug compositions and methods for their synthesis CHMP4B, CTSA, CLTA KDM4E 2091/4885ALDH1A1 4743/4885HPGD 4725/4885
US-20220306603-A1 TARGETING DNA REPAIR IN TUMOR CELLS VIA INHIBITION OF ERCC1-XPF ERCC4, ERCC1, ERCC2 KDM4E 3255/4885ALDH1A1 3371/4885HPGD 1656/4885
US-20060040879-A1 Chloroquine coupled nucleic acids and methods for their synthesis TLR9, TLR3, EXOSC5 KDM4E 3418/4885ALDH1A1 4696/4885HPGD 4829/4885

“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.