SCHEMBL20501599

SCHEMBL20501599

Cc1onc(-c2cccc([N+](=O)[O-])c2)c1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
HTT P42858 2/20 0.53
LMNA P02545 2/20 0.53
GAA P10253 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
TNF P01375 1/20 0.48
NOD2 Q9HC29 1/20 0.48
NOD1 Q9Y239 1/20 0.48
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 1/20 0.46
MAPT P10636 2/20 0.46
ALOX12 P18054 1/20 0.46
TP53 P04637 1/20 0.46
MITF O75030 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL11517059 0.89 MEN1 (0.55) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL20501792 0.84 MEN1 (0.61) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL7763901 0.84 KMT2A (0.51) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL4333884 0.81 GPBAR1 (0.60) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL12691798 0.80 KMT2A (0.45) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL316093 0.79 KMT2A (0.76) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL4594713 0.79 GPBAR1 (0.62) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL1931107 0.79 GPBAR1 (0.66) ALDH1A1MEN1KMT2AHTTLMNA
Hydrochloric Acid SCHEMBL4846563 0.77 KMT2A (0.73) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL4345696 0.76 GPBAR1 (0.64) ALDH1A1MEN1KMT2AHTTLMNA

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
US-20200131129-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2020-04-30 US disclosed
WO-2018170173-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2018-09-20 WO 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-20200131129-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 ALDH1A1 2205/4885MEN1 2725/4885KMT2A 4719/4885

“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.