SCHEMBL9977896

SCHEMBL9977896

NCCn1cc(-c2ccc(F)cc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.51
FEN1 P39748 1/20 0.50
MAOB P27338 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KCNH2 Q12809 14/20 0.42
GRIN2B Q13224 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 SCHEMBL15326968 0.98 CREBBP (0.50) CREBBPFEN1MAOBLMNAMAPT
SCHEMBL5901517 0.86 CREBBP (0.52) CREBBPFEN1LMNAMAPTL3MBTL1
SCHEMBL9977750 0.84 FEN1 (0.50) CREBBPFEN1MAPTL3MBTL1
Hydrochloric Acid SCHEMBL15327063 0.82 FEN1 (0.49) CREBBPFEN1LMNAMAPTL3MBTL1
SCHEMBL103796 0.82 CREBBP (0.46) CREBBPFEN1LMNAMAPTL3MBTL1
SCHEMBL4653938 0.81 L3MBTL1 (0.65) CREBBPFEN1L3MBTL1KCNH2GRIN2B
SCHEMBL28034436 0.79 SIGMAR1 (0.49) CREBBP
SCHEMBL15604664 0.78 CREBBP (0.46) CREBBPFEN1MAOBLMNAMAPT
SCHEMBL414600 0.78 SMN1; SMN2 (0.52) CREBBP
Hydrochloric Acid SCHEMBL16648689 0.77 CREBBP (0.45) CREBBPFEN1LMNAMAPTL3MBTL1

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 CREBBP 416/4885FEN1 4849/4885MAOB 689/4885

“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.