SCHEMBL280280

SCHEMBL280280

Cc1ccc(C(=O)NN2CCCC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.73
HTT P42858 1/20 0.66
TDP1 Q9NUW8 1/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
KDM4E B2RXH2 2/20 0.54
MAPT P10636 2/20 0.54
ALDH1A1 P00352 2/20 0.54
GAA P10253 2/20 0.54
CYP3A4 P08684 2/20 0.54
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.54
RAB9A P51151 1/20 0.54
MCL1 Q07820 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TP53 P04637 1/20 0.54
GLA P06280 1/20 0.54
ALOX12 P18054 1/20 0.54

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
SCHEMBL12629113 0.98 CYP2D6 (0.71) CYP2D6HTTTDP1MEN1KMT2A
SCHEMBL14679114 0.86 CYP2D6 (0.73) CYP2D6HTTMEN1KMT2AALDH1A1
SCHEMBL6387343 0.84 CYP2D6 (1.00) CYP2D6MEN1KMT2AALDH1A1GAA
SCHEMBL5406540 0.83 HTT (0.73) CYP2D6HTTKMT2AMAPTALDH1A1
Hydrochloric Acid SCHEMBL27406141 0.82 CYP2D6 (0.52) CYP2D6HTTTDP1MEN1KMT2A
SCHEMBL5696646 0.82 HTT (0.62) CYP2D6HTTMEN1KMT2AMAPT
SCHEMBL4959035 0.81 HTT (0.66) CYP2D6HTTKMT2AALDH1A1SMN1; SMN2
SCHEMBL55036 0.81 HTT (0.66) CYP2D6HTTTDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL27384219 0.81 CYP2D6 (0.51) CYP2D6HTTTDP1MEN1KMT2A
SCHEMBL2399935 0.81 HTT (0.96) HTTKMT2AMAPTALDH1A1GAA

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
US-8134013-B2 Amide compound and thrombopoietin receptor activator NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-03-13 US disclosed
US-8134013-B2 Amide compound and thrombopoietin receptor activator NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-03-13 US disclosed
US-20090182142-A1 Aromatic Compound FURUKUBO SHIGERU 2009-07-16 US disclosed
US-20090182142-A1 Aromatic Compound FURUKUBO SHIGERU 2009-07-16 US disclosed
US-20090131659-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-21 US disclosed
US-20090131659-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-21 US disclosed
EP-1956009-A1 AROMATIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-13 EP disclosed
EP-1845090-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR Nissan Chemical Industries, Ltd. (JP) 2007-10-17 EP disclosed
US-7253158-B2 Sulfonamides HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US 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-20090131659-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR TEK, PTAFR, MPL CYP2D6 2749/4885HTT 1630/4885TDP1 2969/4885
US-20090182142-A1 Aromatic Compound HRH4, CCR4, HRH3 CYP2D6 799/4885HTT 2727/4885TDP1 4644/4885

“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.