SCHEMBL5544959

SCHEMBL5544959

O=C1C=CN(C(=O)c2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.65
HPGD P15428 3/20 0.44
ALDH1A1 P00352 2/20 0.42
SIGMAR1 Q99720 1/20 0.42
ACHE P22303 1/20 0.40
USP2 O75604 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.40
BLM P54132 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
P2RX4 Q99571 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL29001976 0.71 HTT (0.41) SMN1; SMN2HPGDALDH1A1SIGMAR1GSK3A
SCHEMBL7951873 0.70 SMN1; SMN2 (0.47) SMN1; SMN2HPGDALDH1A1
SCHEMBL11212933 0.70 HPGD (0.46) SMN1; SMN2HPGDALDH1A1SIGMAR1ACHE
SCHEMBL15756104 0.70 HPGD (0.50) HPGDALDH1A1SIGMAR1ACHEUSP2
SCHEMBL7963508 0.69 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL2628907 0.69 SIGMAR1 (0.50) HPGDALDH1A1SIGMAR1ACHEUSP2
SCHEMBL4552418 0.68 P2RX4 (0.45) SMN1; SMN2HPGDALDH1A1SIGMAR1ACHE
SCHEMBL263534 0.67 HPGD (0.66) HPGDALDH1A1SIGMAR1ACHEUSP2
SCHEMBL7338840 0.67 ALDH1A1 (0.61) SMN1; SMN2HPGDALDH1A1SIGMAR1ACHE
SCHEMBL252026 0.66 HPGD (0.79) HPGDALDH1A1SIGMAR1ACHEUSP2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 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 (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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S SMN1; SMN2 763/4885HPGD 3242/4885ALDH1A1 4310/4885
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 SMN1; SMN2 1510/4885HPGD 1172/4885ALDH1A1 1316/4885

“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.