SCHEMBL9977807

SCHEMBL9977807

CCNCCn1ccc(-c2ccc(F)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 4/20 0.48
KMT2A Q03164 3/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP19A1 P11511 1/20 0.37
KEAP1 Q14145 1/20 0.37
AR P10275 1/20 0.36
TLR8 Q9NR97 1/20 0.36
HDAC3 O15379 3/20 0.36
HDAC4 P56524 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC7 Q8WUI4 3/20 0.36

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 SCHEMBL15327072 0.98 SCN4A (0.47) SCN4AKMT2ANPC1LMNARAB9A
SCHEMBL9977898 0.84 CA1 (0.36) SCN4AKMT2ANPC1MEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL15327003 0.83 CA1 (0.35) SCN4AKMT2ANPC1MEN1SMN1; SMN2
SCHEMBL9977894 0.82 SCN4A (0.40) SCN4AKMT2ANPC1LMNARAB9A
SCHEMBL9977806 0.81 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL26112584 0.80 SCN4A (0.51) SCN4AKMT2ANPC1LMNARAB9A
Hydrochloric Acid SCHEMBL15327025 0.80 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL5346265 0.78 KMT2A (0.56) SCN4AKMT2ANPC1LMNARAB9A
Hydrochloric Acid SCHEMBL15326972 0.76 SCN4A (0.47) SCN4AKMT2ANPC1LMNARAB9A
Hydrochloric Acid SCHEMBL15327024 0.76 SCN4A (0.47) SCN4AKMT2ANPC1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130281465-A1 PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-10-24 US disclosed
US-20130281465-A1 PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-10-24 US disclosed
WO-2012081692-A1 PYRAZOLE DERIVATIVE 大正製薬株式会社 (JP) 2012-06-21 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-20130281465-A1 PYRAZOLE DERIVATIVE HCRTR1, HCRTR2, NPY4R SCN4A 431/4885KMT2A 1092/4885NPC1 993/4885

“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.