SCHEMBL20100856

SCHEMBL20100856

N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)Nc1nccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 8/20 1.00
COMT P21964 3/20 0.63
EGFR P00533 1/20 0.61
CSNK2A1 P68400 2/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ABCC3 O15438 1/20 0.53
ABCC4 O15439 1/20 0.53
ABCB11 O95342 1/20 0.53
LMNA P02545 1/20 0.53
CYP2C9 P11712 1/20 0.53
GPR35 Q9HC97 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
RECQL P46063 1/20 0.53

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
SCHEMBL16160394 0.80 FTO (1.00) FTOCOMTEGFRMEN1KMT2A
SCHEMBL21505945 0.80 FTO (0.68) FTOCOMTEGFRCSNK2A1MEN1
SCHEMBL28997733 0.79 FTO (0.80) FTOCOMTEGFRMEN1KMT2A
SCHEMBL29493672 0.79 FTO (0.80) FTOCOMTEGFRMEN1KMT2A
SCHEMBL16160427 0.78 FTO (0.80) FTOCOMTEGFRMEN1KMT2A
SCHEMBL20100862 0.78 COMT (1.00) FTOCOMTKMT2AALDH1A1
SCHEMBL20100840 0.78 FTO (1.00) FTOCOMTEGFRMEN1KMT2A
SCHEMBL8848325 0.76 FTO (0.82) FTOCOMTEGFRMEN1KMT2A
SCHEMBL8848319 0.76 FTO (0.82) FTOCOMTEGFRMEN1KMT2A
SCHEMBL8848281 0.76 FTO (0.74) FTOCOMTEGFRMEN1KMT2A

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
CN-107922316-B FTO inhibitors 北京生命科学研究所 2022-04-08 CN disclosed
EP-3885337-A1 FTO INHIBITORS National Institute Of Biological Sciences, Beijing (CN) 2021-09-29 EP disclosed
US-20210238127-A1 FTO Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-08-05 US disclosed
US-10988440-B2 FTO inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-04-27 US disclosed
EP-3303283-B1 FTO INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-04-21 EP disclosed
US-20200148628-A1 FTO Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2020-05-14 US disclosed
US-20180118665-A1 FTO Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-05-03 US disclosed
US-20180118665-A1 FTO Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-05-03 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 (4 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-20180118665-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 FTO 1/4885COMT 9/4885EGFR 4024/4885
US-20210238127-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 FTO 1/4885COMT 9/4885EGFR 4024/4885
US-20200148628-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 FTO 1/4885COMT 9/4885EGFR 4024/4885
US-10988440-B2 FTO inhibitors FTO, ALKBH3, ALKBH1 FTO 1/4885COMT 9/4885EGFR 4024/4885

“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.