SCHEMBL6196923

SCHEMBL6196923

[O]C(=O)CCCc1ccccn1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.68
CYP1A2 P05177 2/20 0.68
CYP2C19 P33261 1/20 0.68
HRH1 P35367 2/20 0.53
TDP1 Q9NUW8 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
LMNA P02545 1/20 0.46
PTPRA P18433 1/20 0.46
HRH3 Q9Y5N1 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
HRH4 Q9H3N8 1/20 0.45
NAAA Q02083 1/20 0.45

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
SCHEMBL6446039 0.89 CYP1A2 (0.57) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
SCHEMBL6687222 0.85 SMN1; SMN2 (0.73) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
SCHEMBL3673389 0.85 SMN1; SMN2 (0.73) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
SCHEMBL9774 0.85 SMN1; SMN2 (0.68) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
Hydrochloric Acid SCHEMBL7206845 0.84 SMN1; SMN2 (0.71) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
SCHEMBL7167984 0.84 CYP1A2 (0.66) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
SCHEMBL7440930 0.84 SMN1; SMN2 (0.66) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
Hydrochloric Acid SCHEMBL3513717 0.84 SMN1; SMN2 (0.66) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
SCHEMBL10764739 0.81 SMN1; SMN2 (1.00) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
SCHEMBL10754269 0.81 SMN1; SMN2 (0.67) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1031563-B1 SULFONYL DERIVATIVES DAIICHI SEIYAKU CO (JP) 2005-12-28 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
US-20030232808-A1 Sulfonyl derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-12-18 US disclosed
US-6525042-B1 Inhibits an activated coagulation factor FXa; anticoagulant, antithrombotic DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-02-25 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 EP disclosed
EP-1031563-A1 SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-08-30 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-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 SMN1; SMN2 1510/4885CYP1A2 63/4885CYP2C19 84/4885
US-20030232808-A1 Sulfonyl derivatives SULT1E1, SULT2A1, SULT1A1 SMN1; SMN2 1433/4885CYP1A2 508/4885CYP2C19 938/4885

“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.