SCHEMBL13069321

SCHEMBL13069321

CCCc1nc(OC)cc(OC)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.39
CYP1A2 P05177 1/20 0.38
PDE2A O00408 5/20 0.38
ADORA3 P0DMS8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HMGCR P04035 1/20 0.35
PGK1 P00558 1/20 0.34
PDE5A O76074 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE7A Q13946 1/20 0.34
PDE3A Q14432 1/20 0.34
PDE11A Q9HCR9 1/20 0.34
PDE7B Q9NP56 1/20 0.34
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL10830346 0.86 NOS2 (0.42) SMN1; SMN2LMNAPDE2AADORA3KDM4E
SCHEMBL8343522 0.81 LMNA (0.45) SMN1; SMN2LMNAL3MBTL1CYP1A2PDE2A
SCHEMBL5502085 0.80 LMNA (0.41) SMN1; SMN2LMNAL3MBTL1CYP1A2PDE2A
SCHEMBL14288598 0.77 ALDH1A1 (0.41) SMN1; SMN2LMNAL3MBTL1PDE2AADORA3
SCHEMBL5502197 0.77 LMNA (0.38) SMN1; SMN2LMNAL3MBTL1CYP1A2PDE2A
SCHEMBL12479632 0.77 TNKS2 (0.41) SMN1; SMN2LMNAL3MBTL1CYP1A2PDE2A
SCHEMBL13827585 0.75 PDE10A (0.43) PDE2APDE5APDE4APDE4DPDE7A
SCHEMBL13738921 0.74 CYP1A2 (0.44) SMN1; SMN2LMNAL3MBTL1CYP1A2PDE2A
SCHEMBL4595225 0.74 LMNA (0.43) SMN1; SMN2LMNAL3MBTL1CYP1A2PDE2A
SCHEMBL4918384 0.74 LOXL2 (0.44) SMN1; SMN2LMNAL3MBTL1CYP1A2PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3453707-B1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2022-02-16 EP disclosed
EP-3453707-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai de Novo Pharmatech Co., Ltd. (CN) 2019-03-13 EP disclosed
US-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 US disclosed
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-12-15 US disclosed
US-9403782-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2016-08-02 US disclosed
US-9115096-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-08-25 US disclosed
US-8653075-B2 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20130184255-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-07-18 US disclosed
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
US-20130012492-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2013-01-10 US disclosed
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2012-11-15 US disclosed
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 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 (6 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-20130184255-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNJ4 SMN1; SMN2 1420/4885LMNA 1024/4885L3MBTL1 2509/4885
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS P2RY1, P2RX7, P2RX1 SMN1; SMN2 4471/4885LMNA 1782/4885L3MBTL1 4862/4885
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 SMN1; SMN2 1025/4885LMNA 649/4885L3MBTL1 4070/4885
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 SMN1; SMN2 1025/4885LMNA 649/4885L3MBTL1 4070/4885
US-20130012492-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNJ4 SMN1; SMN2 1420/4885LMNA 1024/4885L3MBTL1 2509/4885
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists CCR3, CCR1, CCR4 SMN1; SMN2 1205/4885LMNA 4598/4885L3MBTL1 3434/4885

“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.