SCHEMBL26231536

SCHEMBL26231536

O=[N+]([O-])c1cc(C(F)(F)F)c2ncn(O)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ MAPT P10636 4/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ HTT P42858 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GALR3 O60755 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PDE7A Q13946 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ CREBBP Q92793 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL22954108 0.77 MAPT (0.60) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL26231537 0.71 ALDH1A1 (0.43) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL8337275 0.68 FGFR1 (0.60) ALDH1A1MAPTHTTSMN1; SMN2MEN1
SCHEMBL13724896 0.67 CYP19A1 (0.50) ALDH1A1HTTSMN1; SMN2MEN1GALR3
SCHEMBL22954282 0.67 MAPT (0.37) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL2422409 0.67 FGFR1 (0.58) ALDH1A1MAPTHTTSMN1; SMN2MEN1
SCHEMBL31053163 0.66 ALDH1A1 (0.60) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL1278657 0.66 ALDH1A1 (0.60) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL1459269 0.66 ALDH1A1 (0.54) ALDH1A1HTTSMN1; SMN2MEN1GALR3
SCHEMBL11677753 0.66 ALDH1A1 (0.50) ALDH1A1HTTSMN1; SMN2MEN1GALR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760701-B2 Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YROK (US) 2023-09-19 — — 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-11760701-B2 Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same AFF2, AFF4, AFF1 ALDH1A1 1490/4885MAPT 2445/4885MAPK1 4517/4885

“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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