SCHEMBL26231537

SCHEMBL26231537

Cn1nnc2c(C(F)(F)F)cc([N+](=O)[O-])cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPT P10636 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CHEK1 O14757 1/20 0.39
▸ DAPK3 O43293 1/20 0.39
▸ GRK5 P34947 1/20 0.39
▸ LIMK1 P53667 1/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ GALR3 O60755 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NSD2 O96028 2/20 0.36
▸ CTSS P25774 2/20 0.35
▸ AR P10275 2/20 0.34
▸ SIRT6 Q8N6T7 1/20 0.34
▸ PDE7A Q13946 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ LMNA P02545 1/20 0.34

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 0.83 MAPT (0.60) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL22954282 0.78 MAPT (0.37) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL26231536 0.71 ALDH1A1 (0.43) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL16451131 0.69 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL922709 0.68 NSD2 (0.61) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL13724896 0.67 CYP19A1 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2GALR3
SCHEMBL1944276 0.67 ALDH1A1 (0.39) ALDH1A1MAPTCHEK1DAPK3GRK5
SCHEMBL26231539 0.67 GPR35 (0.44) ALDH1A1MAPTCHEK1DAPK3GRK5
SCHEMBL1945574 0.66 ALDH1A1 (0.38) ALDH1A1CHEK1DAPK3GRK5LIMK1
SCHEMBL25425730 0.66 SMN1; SMN2 (0.51) ALDH1A1MAPTMAPK1MEN1KMT2A

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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