SCHEMBL1504229

SCHEMBL1504229

O=C(O)CC(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
POLB P06746 3/20 0.68
KMT2A Q03164 6/20 0.66
NPC1 O15118 2/20 0.66
RAB9A P51151 1/20 0.66
MEN1 O00255 5/20 0.57
HPGD P15428 2/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
HSD17B10 Q99714 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
P2RX7 Q99572 1/20 0.51
FNTA P49354 1/20 0.51
FNTB P49356 1/20 0.51

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
SCHEMBL17025585 0.91 KMT2A (0.61) ALDH1A1POLBKMT2ANPC1RAB9A
SCHEMBL7827734 0.84 POLB (0.80) ALDH1A1POLBKMT2ANPC1RAB9A
SCHEMBL11428796 0.82 KMT2A (0.59) ALDH1A1POLBKMT2ANPC1RAB9A
SCHEMBL4671464 0.82 MAPT (0.62) ALDH1A1POLBKMT2ANPC1RAB9A
SCHEMBL1796314 0.81 POLB (0.93) ALDH1A1POLBKMT2ANPC1RAB9A
SCHEMBL27909122 0.81 POLB (1.00) ALDH1A1POLBKMT2ANPC1RAB9A
SCHEMBL4900622 0.81 KMT2A (0.58) ALDH1A1POLBKMT2ANPC1RAB9A
SCHEMBL16922181 0.81 NPC1 (0.66) ALDH1A1POLBKMT2ANPC1RAB9A
SCHEMBL6832724 0.81 CYP1A1 (0.71) ALDH1A1POLBKMT2AMEN1HPGD
SCHEMBL2098193 0.81 ALDH1A1 (0.59) ALDH1A1POLBKMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115160204-B Fibroblast activation protein inhibitor and preparation method and application thereof 山东大学 2024-04-09 CN disclosed
CN-114044742-B Chiral primary amine malonamide compound and preparation method and application thereof 河北工业大学 2023-02-10 CN disclosed
CN-115160204-A Fibroblast activation protein inhibitor and preparation method and application thereof 山东大学 2022-10-11 CN disclosed
CN-114044742-A Chiral primary amine malonamide compound and preparation method and application thereof 河北工业大学 2022-02-15 CN disclosed
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 EP disclosed
CN-1826333-B Diamine derivatives DAIICHI SANKYO CO LTD 2012-12-26 CN 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
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-1826333-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2006-08-30 CN disclosed
CN-1751025-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2006-03-22 CN disclosed
CN-1745071-A Novel ethylenediamine derivative DAIICHI SEIYAKU CO (JP) 2006-03-08 CN 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
EP-1577302-A1 NOVEL ETHYLENEDIAMINE 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
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

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

For each of this compound's patents that has machine-readable text (4 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-20050020645-A1 Diamine derivatives C9, C1S, C1R ALDH1A1 3319/4885POLB 868/4885KMT2A 3485/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R ALDH1A1 3319/4885POLB 868/4885KMT2A 3485/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R ALDH1A1 3319/4885POLB 868/4885KMT2A 3485/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R ALDH1A1 3734/4885POLB 1011/4885KMT2A 3461/4885

“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.