SCHEMBL209399

SCHEMBL209399

Brc1ccc2cc[c]cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 3/20 0.50
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ BACE1 P56817 2/20 0.36
▸ AHR P35869 3/20 0.34
▸ NR4A2 P43354 1/20 0.34
▸ NOS1 P29475 2/20 0.32
▸ METAP2 P50579 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ CSNK2A1 P68400 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ ERN1 O75460 1/20 0.32
▸ NPC1 O15118 1/20 0.31

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
SCHEMBL146278 0.91 CYP2A6 (0.50) CYP2A6MAPTKDM4EMEN1ALDH1A1
SCHEMBL3300812 0.76 — —
SCHEMBL70257 0.75 — —
SCHEMBL559813 0.75 — —
SCHEMBL29371678 0.74 CYP2A6 (0.72) CYP2A6MAPTKDM4EMEN1ALDH1A1
SCHEMBL71297 0.74 — —
SCHEMBL2051640 0.74 CYP2A6 (0.72) CYP2A6MAPTKDM4EMEN1ALDH1A1
SCHEMBL208424 0.73 CYP2A6 (0.50) CYP2A6MAPTALDH1A1AHRNR4A2
SCHEMBL1451816 0.73 CYP1A2 (0.50) MEN1KMT2ACYP1A2CYP2C19DYRK1A
SCHEMBL2252105 0.73 ALDH1A1 (0.50) CYP2A6MAPTKDM4EMEN1ALDH1A1

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 116 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
CN-101163700-A Triamine derivative DAIICHI SEIYAKU CO (JP) 2008-04-16 — — CN 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
CN-1894238-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2007-01-10 — — CN claimed
CN-1293057-C Ethylenediamine derivatives DAIICHI SEIYAKU CO (JP) 2007-01-03 — — CN 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
CN-1438993-A Ethylenediamine derivatives DAIICHI SEIYAKU CO (JP) 2003-08-27 — — CN claimed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 — — EP claimed
EP-0320201-B1 1,2,4,5-Benzoylenebis (naphto [2,3-d] imidazole) compounds and photosensitive members containing them SHARP KK (JP) 1994-02-09 — — EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 2627/4885MAPT 4390/4885KDM4E 3425/4885
US-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 CYP2A6 246/4885MAPT 4836/4885KDM4E 2715/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R CYP2A6 2751/4885MAPT 4271/4885KDM4E 3971/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R CYP2A6 2751/4885MAPT 4271/4885KDM4E 3971/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 CYP2A6 1405/4885MAPT 4605/4885KDM4E 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.

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