SCHEMBL23913686

SCHEMBL23913686

Nc1cc(OCC(F)F)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.43
ALDH1A1 P00352 6/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 4/20 0.39
TSHR P16473 1/20 0.39
CYP3A4 P08684 2/20 0.39
PDE7A Q13946 1/20 0.36
S1PR4 O95977 1/20 0.36
POLB P06746 2/20 0.36
ALOX15 P16050 1/20 0.36
MCL1 Q07820 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL23914966 0.86 MAPT (0.44) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL23914961 0.84 MAPT (0.42) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL5562501 0.81 MAPT (0.59) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL5563833 0.80 MAPT (0.46) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL23915317 0.80 MAOA (0.40) ALDH1A1TDP1TSHRL3MBTL1
SCHEMBL23909063 0.80 VCAM1 (0.38) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL670299 0.80 LMNA (0.41) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL11951423 0.79 MAPT (0.41) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL26930698 0.78 MAPT (0.61) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL30778504 0.78 NPC1 (0.50) LMNATDP1TSHRCYP3A4L3MBTL1

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
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 MAPT 4876/4885ALDH1A1 944/4885MEN1 2554/4885

“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.