SCHEMBL10108156

SCHEMBL10108156

O=[N+]([O-])c1c[nH]c(C(F)(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
ALDH1A1 P00352 4/20 0.33
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HIF1A Q16665 1/20 0.32
TXNRD1 Q16881 1/20 0.32
TXNRD3 Q86VQ6 1/20 0.32
TXNRD2 Q9NNW7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
ABCC8 Q09428 2/20 0.31
KCNJ11 Q14654 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7838930 0.74 CYP3A4 (0.36) MAPTALDH1A1CYP3A4ABCC8KCNJ11
SCHEMBL1853410 0.74
SCHEMBL64072 0.73 CYP3A4 (0.33) MAPTALDH1A1CYP3A4HPGDALOX15
SCHEMBL28920099 0.73 ALDH1A1 (0.33) MAPTALDH1A1CYP3A4TDP1SMN1; SMN2
SCHEMBL28819045 0.71 CYP3A4 (0.32) MAPTALDH1A1CYP3A4HPGDALOX15
SCHEMBL9627673 0.71
SCHEMBL2161282 0.70 NPSR1 (0.33) NPSR1
SCHEMBL3607269 0.69
SCHEMBL7555586 0.69
SCHEMBL2302179 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61109702-A None JP disclosed
US-20250122171-A1 Substituted Amine Compounds, Compositions and Methods of Use DEEP APPLE THERAPEUTICS, INC. 2025-04-17 US disclosed
WO-2025064534-A1 SUBSTITUTED AMINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE DEEP APPLE THERAPEUTICS, INC. (US) 2025-03-27 WO disclosed
EP-2406262-B1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LTD (NZ) 2016-02-17 EP disclosed
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-01-07 US disclosed
US-9073916-B2 Prodrug forms of kinase inhibitors and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2015-07-07 US disclosed
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-03-29 US disclosed
JP-S61109702-A IMIDAZOLE BASED HERBICIDE SUMITOMO CHEM CO LTD 1986-05-28 JP 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 (3 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-20250122171-A1 Substituted Amine Compounds, Compositions and Methods of Use MRGPRX2, MRGPRX1, MRGPRX4 MAPT 3391/4885ALDH1A1 2569/4885CYP3A4 2831/4885
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K MAPT 3315/4885ALDH1A1 3257/4885CYP3A4 923/4885
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K MAPT 3259/4885ALDH1A1 3205/4885CYP3A4 814/4885

“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.