SCHEMBL22321627

SCHEMBL22321627

Oc1ccc(-c2ccc(C(F)(F)F)cc2)nc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ RCE1 Q9Y256 1/20 0.42
▸ TRPV3 Q8NET8 6/20 0.42
▸ SNCA P37840 2/20 0.41
▸ CHUK O15111 1/20 0.40
▸ TXNRD1 Q16881 1/20 0.40
▸ NOX4 Q9NPH5 1/20 0.40
▸ COMT P21964 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.39

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
SCHEMBL22337526 0.86 KMT2A (0.44) KDM4ENPC1ALDH1A1POLBHPGD
SCHEMBL22337706 0.79 ENPP1 (0.43) KIF11TRPV3
SCHEMBL2558500 0.78 MGLL (0.43) KIF11TRPV3ADORA3SCN9A
SCHEMBL29106060 0.77 P2RY14 (0.46) KIF11POLBSNCAADORA3SCN9A
SCHEMBL22337682 0.76 TRPV3 (0.43) TRPV3SCN9A
SCHEMBL22321650 0.75 GSTO1 (0.40) KIF11KDM4EGFERTRPV3SCN9A
SCHEMBL22321585 0.73 SCN9A (0.53) TRPV3SCN9A
SCHEMBL22321659 0.73 SCN9A (0.53) TRPV3SCN9A
SCHEMBL22321582 0.73 SCN9A (0.53) TRPV3SCN9A
SCHEMBL28108994 0.71 CDC7 (0.70) KIF11KDM4ENPC1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11220482-B2 Aminopyridinemethanol compounds and their use UNIVERSITE AMIENS PICARDIE JULES VERNE (FR) 2022-01-11 — — US disclosed
US-11220482-B2 Aminopyridinemethanol compounds and their use UNIVERSITE AMIENS PICARDIE JULES VERNE (FR) 2022-01-11 — — US disclosed
EP-3704093-A1 NOVEL AMINOPYRIDINEMETHANOL COMPOUNDS AND THEIR USE Université Amiens Picardie Jules Verne (FR) 2020-09-09 — — EP disclosed
US-20200255379-A1 NOVEL AMINOPYRIDINEMETHANOL COMPOUNDS AND THEIR USE UNIV AMIENS PICARDIE JULES VERNE (FR) 2020-08-13 — — US disclosed
US-20200255379-A1 NOVEL AMINOPYRIDINEMETHANOL COMPOUNDS AND THEIR USE UNIV AMIENS PICARDIE JULES VERNE (FR) 2020-08-13 — — 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 (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-11220482-B2 Aminopyridinemethanol compounds and their use QDPR, PNMT, CYP3A43 KIF11 3487/4885KDM4E 1965/4885NPC1 2526/4885
US-20200255379-A1 NOVEL AMINOPYRIDINEMETHANOL COMPOUNDS AND THEIR USE QDPR, PNMT, CYP3A43 KIF11 3467/4885KDM4E 2123/4885NPC1 1778/4885

“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.

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