SCHEMBL4136041

SCHEMBL4136041

NCc1ccc(CN2CCOCC2)o1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
NCF1 P14598 1/20 0.51
HRH3 Q9Y5N1 3/20 0.47
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
CXCR4 P61073 1/20 0.44
CYP2A13 Q16696 7/20 0.43
MYC P01106 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL13115535 0.81 HTT (0.57) HTTHRH3CYP2C9ALOX15HSD17B10
SCHEMBL4143256 0.81 HTT (0.61) HTTHRH3CYP2C9ALOX15HSD17B10
SCHEMBL4143939 0.80 ALDH1A1 (0.55) NCF1MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL10912493 0.79 PRMT6 (0.50) HTTNCF1HRH3CYP2C9ALOX15
SCHEMBL1472855 0.78 GFER (0.64) HTTHRH3CYP2C9ALOX15HSD17B10
SCHEMBL11479737 0.78 HTT (0.57) HTTNCF1HRH3CYP2C9ALOX15
SCHEMBL8263606 0.78 ALDH1A1 (0.63) HTTHRH3CYP2C9ALOX15HSD17B10
SCHEMBL19229610 0.75 HTT (0.54) HTTHRH3CYP2C9ALOX15HSD17B10
SCHEMBL4136038 0.75 HTT (0.75) HTTHRH3CYP2C9ALOX15HSD17B10
SCHEMBL21258333 0.74 HTT (0.53) HTTHRH3CYP2C9ALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
CN-1656079-A Pyrazole compounds and pharmaceutical compositions containing the same EISAI CO LTD (JP) 2005-08-17 CN disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B HTT 3425/4885NCF1 1370/4885HRH3 421/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B HTT 3942/4885NCF1 1066/4885HRH3 422/4885

“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.