SCHEMBL4038858

SCHEMBL4038858

O=C(Cl)C1=Cc2ccccc2Oc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
GPR84 Q9NQS5 2/20 0.49
DRD2 P14416 7/20 0.43
DRD4 P21917 7/20 0.43
P2RX4 Q99571 1/20 0.41
ATM Q13315 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 1/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
MAPT P10636 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TRPA1 O75762 1/20 0.35
ALOX5 P09917 1/20 0.33
MEN1 O00255 2/20 0.33

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
SCHEMBL4043208 0.86 LMNA (0.70) LMNAGPR84DRD2DRD4P2RX4
SCHEMBL4213975 0.84 LMNA (0.52) LMNAGPR84DRD2DRD4P2RX4
Hydrochloric Acid SCHEMBL4045240 0.84 LMNA (0.68) LMNAGPR84DRD2DRD4P2RX4
SCHEMBL6907491 0.81 MAOA (0.36) LMNAGPR84KDM4EMAPK1CA12
SCHEMBL9056533 0.76 P2RX4 (0.47) LMNADRD2DRD4P2RX4KDM4E
SCHEMBL9055313 0.75 GPR84 (0.56) LMNAGPR84DRD2DRD4P2RX4
SCHEMBL6693464 0.75 LMNA (0.47) LMNAGPR84DRD2DRD4KDM4E
SCHEMBL9055138 0.75 HPGD (0.44) LMNADRD2DRD4TP53MEN1
SCHEMBL2827619 0.73 LMNA (0.59) LMNADRD2DRD4KDM4EMAPK1
SCHEMBL4038906 0.73 LMNA (0.71) LMNADRD2DRD4P2RX4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
US-7612054-B2 Dibenzo[b,f]oxepine-10-carboxamides and pharmaceutical uses thereof NOVARTIS AG (CH) 2009-11-03 US disclosed
EP-1651592-B1 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2009-04-29 EP disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20070111991-A1 Novel dibenzo [b, f] oxepine-10-carboxamides and pharmaceutical uses thereof NOVARTIS AG (CH) 2007-05-17 US disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
EP-1651592-A2 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF Novartis AG (CH) 2006-05-03 EP disclosed
WO-2005014517-A2 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2005-02-17 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS LMNA 3686/4885GPR84 815/4885DRD2 4001/4885
US-20070111991-A1 Novel dibenzo [b, f] oxepine-10-carboxamides and pharmaceutical uses thereof APP, BACE1, BCHE LMNA 2840/4885GPR84 707/4885DRD2 192/4885

“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.