SCHEMBL3213041

SCHEMBL3213041

FC(F)(F)c1cccc(CN=c2ccn(Cc3cccc(C(F)(F)F)c3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.49
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 2/20 0.44
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GRIN2B Q13224 1/20 0.44
HTT P42858 1/20 0.44
TP53 P04637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
ATM Q13315 1/20 0.43
IDO1 P14902 2/20 0.42
POLB P06746 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 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
SCHEMBL30424935 0.74 ALDH1A1 (0.50) MIFALDH1A1KDM4EGAAMAPT
SCHEMBL3215853 0.73 HTT (0.42) ALDH1A1LMNASMN1; SMN2HTTATM
SCHEMBL9747476 0.71 CYP11B1 (0.66) MAPTPOLB
SCHEMBL29630801 0.70 L3MBTL1 (0.50) MIFALDH1A1KDM4EGAAMAPT
SCHEMBL29630587 0.70 KDM4E (0.47) MIFALDH1A1KDM4EGAAMAPT
SCHEMBL43367 0.70 MIF (0.62) MIFALDH1A1KDM4EGAAMAPT
SCHEMBL1008752 0.69 ALDH1A1 (0.48) ALDH1A1KDM4EGAAMAPTLMNA
Bromide SCHEMBL2192405 0.68 ALDH1A1 (0.47) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL5103155 0.66 TAAR1 (0.64) MIFALDH1A1KDM4EGAAMAPT
SCHEMBL3237564 0.66 TAAR1 (0.64) MIFALDH1A1KDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035924-A1 NOVEL 4-AMINO-PYRIDINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-02-11 US claimed
US-20100035924-A1 NOVEL 4-AMINO-PYRIDINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-02-11 US 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-20100035924-A1 NOVEL 4-AMINO-PYRIDINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNN1, KCNN2, KCNN3 MIF 4783/4885ALDH1A1 4188/4885KDM4E 220/4885

“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.