SCHEMBL741209

SCHEMBL741209

O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.58
PDGFRA P16234 1/20 0.58
GUSB P08236 3/20 0.57
FLT3 P36888 2/20 0.52
F7 P08709 1/20 0.51
F3 P13726 1/20 0.51
LGALS8 O00214 1/20 0.50
LGALS3 P17931 1/20 0.50
OPRM1 P35372 1/20 0.48
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PKM P14618 1/20 0.44
HRH4 Q9H3N8 1/20 0.44

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
SCHEMBL9522383 0.85 PDGFRB (0.61) PDGFRBPDGFRAFLT3KMT2AMEN1
SCHEMBL9525590 0.84 PDGFRB (0.71) PDGFRBPDGFRAFLT3KMT2APKM
SCHEMBL14817808 0.82 PDGFRB (0.55) PDGFRBPDGFRAGUSBLGALS8LGALS3
SCHEMBL11888159 0.82 FLT3 (0.56) PDGFRBPDGFRAFLT3F7F3
SCHEMBL30994852 0.81 PDGFRB (0.59) PDGFRBPDGFRAGUSBLGALS8LGALS3
SCHEMBL22502477 0.81 PDGFRB (0.59) PDGFRBPDGFRAGUSBLGALS8LGALS3
SCHEMBL25260588 0.80 PDGFRB (0.53) PDGFRBPDGFRAGUSBLGALS8LGALS3
SCHEMBL9591517 0.80 PDGFRB (0.53) PDGFRBPDGFRALGALS8LGALS3KMT2A
SCHEMBL9523205 0.80 PDGFRB (0.52) PDGFRBPDGFRAKMT2AMEN1NPC1
SCHEMBL1608889 0.79 GUSB (0.51) PDGFRBPDGFRAGUSBFLT3F7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
EP-1405852-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-08-01 EP disclosed
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 EP disclosed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
CN-1751025-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2006-03-22 CN disclosed
US-20060004009-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP disclosed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 EP 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-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 PDGFRB 2392/4885PDGFRA 2096/4885GUSB 4713/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R PDGFRB 3607/4885PDGFRA 3407/4885GUSB 4834/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R PDGFRB 3607/4885PDGFRA 3407/4885GUSB 4834/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R PDGFRB 3607/4885PDGFRA 3407/4885GUSB 4834/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R PDGFRB 3639/4885PDGFRA 3388/4885GUSB 4839/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 PDGFRB 3355/4885PDGFRA 3081/4885GUSB 4572/4885

“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.