SCHEMBL3592586

SCHEMBL3592586

O=C(O)c1ccc(CN2CCCC2)s1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.57
L3MBTL1 Q9Y468 3/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HPGD P15428 1/20 0.47
HIF1A Q16665 2/20 0.43
EPAS1 Q99814 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CNR1 P21554 2/20 0.41
DAO P14920 3/20 0.40
EPHX2 P34913 1/20 0.40
PRKG1 Q13976 1/20 0.40

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
Hydrochloric Acid SCHEMBL8176778 0.97 HRH3 (0.58) HRH3L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL17911206 0.87 HRH3 (0.45) HRH3L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL3825358 0.87 HRH3 (0.60) HRH3L3MBTL1ALDH1A1MAPTHTT
Hydrochloric Acid SCHEMBL15987442 0.85 HRH3 (0.59) HRH3L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL6580820 0.85 HRH3 (0.56) HRH3L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL16761205 0.85 ALDH1A1 (0.58) HRH3L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL8179534 0.83 HRH3 (0.58) HRH3L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL8178308 0.83 HRH3 (0.58) HRH3L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL8184741 0.83 HRH3 (0.61) HRH3L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL10648005 0.83 HRH3 (0.51) HRH3L3MBTL1ALDH1A1KDM4EMAPT

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
US-7795249-B2 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-14 US disclosed
US-7795249-B2 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-14 US disclosed
US-7795249-B2 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-14 US disclosed
US-20080171754-A1 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 US disclosed
US-20080171754-A1 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 US disclosed
US-20080171754-A1 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 US disclosed
WO-2008079277-A1 CERTAIN PYRAZOLINE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-03 WO 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 (1 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-20080171754-A1 Certain pyrazoline derivatives with kinase inhibitory activity MAP3K5, MAP4K5, MAP3K20 HRH3 2768/4885L3MBTL1 3803/4885ALDH1A1 3584/4885

“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.