SCHEMBL207471

SCHEMBL207471

Brc1ccc2c[c]oc2c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.38
MAOB P27338 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
AHR P35869 4/20 0.33
BACE1 P56817 2/20 0.32
S100A4 P26447 1/20 0.32
PIM1 P11309 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
NOS1 P29475 1/20 0.31
METAP2 P50579 1/20 0.31
DYRK1A Q13627 1/20 0.31
APP P05067 1/20 0.31
MIF P14174 1/20 0.30

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
SCHEMBL146387 0.83 CYP2A6 (0.40) CYP2A6KDM4EMEN1ALDH1A1MAPT
SCHEMBL208143 0.74 CYP1A2 (0.44) CYP2A6MAOBKDM4EMEN1ALDH1A1
SCHEMBL4148062 0.74 ALDH1A1 (0.41) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL207736 0.74 CYP2A6 (0.38) CYP2A6MAOBKDM4EMAPTKMT2A
SCHEMBL17870639 0.74 CA12 (0.44) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL207069 0.74 CYP1A2 (0.38) CYP2A6MAOBKDM4EMEN1ALDH1A1
SCHEMBL208305 0.72 TNKS (0.36) MAOBMAPTS100A4PIM1METAP2
SCHEMBL533249 0.69 CYP1A2 (0.44) CYP2A6KDM4EMEN1ALDH1A1MAPT
SCHEMBL533276 0.69 LMNA (0.35) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL533457 0.69 TRPV4 (0.30)

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 87 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP claimed
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 EP claimed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US claimed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US claimed
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP claimed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US claimed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US claimed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US claimed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US claimed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP claimed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP claimed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US claimed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US claimed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US claimed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP claimed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP claimed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 EP claimed
CN-117105891-A Synthesis method of benzofuran compound promoted by DBDMH 河南科技大学 2023-11-24 CN disclosed
US-6500951-B1 RING CLOSING A CARBOXYLIC ACID DERIVATIVE IN PRESENCE OF A NITROGEN CONTAINING AROMATIC COMPOUND AND A BORON COMPOUND; HIGH YIELD AND PURITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-31 US disclosed
CN-1334805-A Process for preparing pyridazin-2-one derivs. SUMITOMO CHEMICAL CO (JP) 2002-02-06 CN 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 (7 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S CYP2A6 2627/4885MAOB 1441/4885KDM4E 3425/4885
US-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 CYP2A6 246/4885MAOB 208/4885KDM4E 2715/4885
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 CYP2A6 3053/4885MAOB 2043/4885KDM4E 3761/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R CYP2A6 2751/4885MAOB 2147/4885KDM4E 3971/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R CYP2A6 2751/4885MAOB 2147/4885KDM4E 3971/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R CYP2A6 2751/4885MAOB 2147/4885KDM4E 3971/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 CYP2A6 1405/4885MAOB 609/4885KDM4E 645/4885

“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.