SCHEMBL3449076

SCHEMBL3449076

CC(=NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
MAPT P10636 4/20 0.55
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 5/20 0.51
GAA P10253 3/20 0.51
GFER P55789 1/20 0.51
CTSL P07711 1/20 0.50
RAB9A P51151 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HTT P42858 3/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL13252309 1.00 MEN1 (0.55) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL15987829 0.76 MEN1 (0.55) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL15987828 0.76 MEN1 (0.55) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL27819239 0.74 MAPT (0.76) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL23336404 0.73 P2RX1 (0.76) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL15992413 0.71 MAPT (0.80) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
Phosphoric Acid SCHEMBL28511104 0.70 P2RX1 (0.70) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL8633084 0.69 SMN1; SMN2 (0.77) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL8633080 0.69 SMN1; SMN2 (0.77) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL23928548 0.68 ALDH1A1 (0.63) MEN1KMT2AMAPTALDH1A1SMN1; SMN2

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-20100179203-A1 NOVEL PYRAZOLE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-07-15 US disclosed
EP-2176228-A1 NOVEL PYRAZOLE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2010-04-21 EP disclosed
WO-2009003921-A1 NOVEL PYRAZOLE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2009-01-08 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-20100179203-A1 NOVEL PYRAZOLE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS KCNN3, KCNJ2, KCNK3 MEN1 3396/4885KMT2A 1537/4885MAPT 2074/4885

“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.