SCHEMBL10041679

SCHEMBL10041679

Clc1ccc2c(c1)c1ncccc1n1c3ccccc3nc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
MAPT P10636 5/20 0.46
HCRTR1 O43613 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 5/20 0.41
ALDH1A1 P00352 6/20 0.41
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE2A O00408 2/20 0.40
PDE10A Q9Y233 2/20 0.40
SMN1; SMN2 Q16637 3/20 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
SCHEMBL10023604 0.86 HPGD (0.46) KDM4EMAPTCASP1CASP7CYP1A2
SCHEMBL10041687 0.86 KDM4E (0.51) KDM4EMAPTHCRTR1CASP1CASP7
SCHEMBL20561427 0.84 ALDH1A1 (0.41) KDM4EMAPTCASP1CASP7CYP1A2
SCHEMBL13350240 0.84 KMT2A (0.47) KDM4EMAPTL3MBTL1HPGDALDH1A1
SCHEMBL21298233 0.83 KDM4E (0.44) KDM4EMAPTHPGDALDH1A1POLB
SCHEMBL10023492 0.83 HPGD (0.48) KDM4EMAPTCASP1CASP7CYP1A2
SCHEMBL12546104 0.82 ALDH1A1 (0.45) KDM4EMAPTCASP1CASP7CYP1A2
SCHEMBL21917607 0.82 POLB (0.48) KDM4EMAPTL3MBTL1HPGDALDH1A1
SCHEMBL10041662 0.82 HPGD (0.49) KDM4EMAPTHCRTR1CASP1CASP7
SCHEMBL14643532 0.82 AHR (0.46) KDM4EMAPTHCRTR1CASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220209141-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2022-06-30 US disclosed
WO-2020212296-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-10-22 WO disclosed
US-9139562-B2 Nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEM, LTD. (KR) 2015-09-22 US disclosed
US-9139562-B2 Nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEM, LTD. (KR) 2015-09-22 US disclosed
US-8368062-B2 Nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEM, LTD. (KR) 2013-02-05 US disclosed
US-8368062-B2 Nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEM, LTD. (KR) 2013-02-05 US disclosed
US-20120007069-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2012-01-12 US disclosed
US-20120007069-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2012-01-12 US disclosed
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2011-06-02 US disclosed
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2011-06-02 US disclosed
WO-2010062065-A2 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME 주식회사 엘지화학 (KR) 2010-06-03 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-20120007069-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC1, VDAC3 KDM4E 382/4885MAPT 2655/4885HCRTR1 2231/4885
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC1, VDAC3 KDM4E 382/4885MAPT 2655/4885HCRTR1 2231/4885
US-20220209141-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 KDM4E 3628/4885MAPT 1180/4885HCRTR1 4753/4885

“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.