SCHEMBL20100822

SCHEMBL20100822

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 8/20 1.00
FTO Q9C0B1 8/20 1.00
ABCC3 O15438 2/20 0.59
ABCC4 O15439 2/20 0.59
ABCB11 O95342 2/20 0.59
GPR35 Q9HC97 2/20 0.59
MEN1 O00255 1/20 0.59
LMNA P02545 1/20 0.59
CYP2C9 P11712 1/20 0.59
KMT2A Q03164 1/20 0.59
NR1I2 O75469 1/20 0.43
TTR P02766 1/20 0.43
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
HTR1A P08908 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
RARB P10826 1/20 0.43
SLC6A2 P23975 1/20 0.43
ADORA1 P30542 1/20 0.43
ADRA1A P35348 1/20 0.43

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
SCHEMBL29493648 1.00 COMT (1.00) COMTFTOABCC3ABCC4ABCB11
SCHEMBL30740996 0.92 COMT (0.86) COMTFTOABCC3ABCC4ABCB11
SCHEMBL32669554 0.92 FTO (0.85) COMTFTOABCC3ABCC4ABCB11
SCHEMBL32669757 0.92 FTO (0.84) COMTFTOABCC3ABCC4ABCB11
SCHEMBL32669676 0.91 COMT (0.82) COMTFTOABCC3ABCC4ABCB11
SCHEMBL32670052 0.91 FTO (0.82) COMTFTOABCC3ABCC4ABCB11
SCHEMBL32670009 0.90 COMT (0.81) COMTFTOABCC3ABCC4ABCB11
SCHEMBL32669539 0.90 FTO (0.81) COMTFTOABCC3ABCC4ABCB11
SCHEMBL32669736 0.90 FTO (0.81) COMTFTOABCC3ABCC4ABCB11
SCHEMBL32670137 0.89 FTO (0.80) COMTFTOABCC3ABCC4ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260035341-A1 FTO INHIBITORS RPXDS CO LTD (CN) 2026-02-05 US claimed
EP-4561975-A1 FTO INHIBITORS RPXDS Co., Ltd (CN) 2025-06-04 EP claimed
CN-119546566-A FTO inhibitors 瑞璞鑫(苏州)生物科技有限公司 2025-02-28 CN claimed
WO-2024022491-A1 FTO INHIBITORS RPXDS CO., LTD (CN) 2024-02-01 WO claimed
US-20260035341-A1 FTO INHIBITORS RPXDS CO LTD (CN) 2026-02-05 US disclosed
EP-4561975-A1 FTO INHIBITORS RPXDS Co., Ltd (CN) 2025-06-04 EP disclosed
CN-119546566-A FTO inhibitors 瑞璞鑫(苏州)生物科技有限公司 2025-02-28 CN disclosed
WO-2024022491-A1 FTO INHIBITORS RPXDS CO., LTD (CN) 2024-02-01 WO 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
US-10980766-B2 Entacapone-related compounds to treat macular degeneration NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-04-20 US disclosed
US-20200148628-A1 FTO Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2020-05-14 US disclosed
US-20190183842-A1 Entacapone-related Compounds to Treat Macular Degeneration NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-06-20 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 (7 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-10980766-B2 Entacapone-related compounds to treat macular degeneration PDE6C, PDE6D, MC3R COMT 469/4885FTO 2501/4885ABCC3 1471/4885
US-20260035341-A1 FTO INHIBITORS FTO, LDLR, GPR119 COMT 52/4885FTO 1/4885ABCC3 2378/4885
US-20190183842-A1 Entacapone-related Compounds to Treat Macular Degeneration PDE6C, PDE6D, MC3R COMT 469/4885FTO 2501/4885ABCC3 1471/4885
US-20180118665-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 COMT 9/4885FTO 1/4885ABCC3 3114/4885
US-20210238127-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 COMT 9/4885FTO 1/4885ABCC3 3114/4885
US-20200148628-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 COMT 9/4885FTO 1/4885ABCC3 3114/4885
US-10988440-B2 FTO inhibitors FTO, ALKBH3, ALKBH1 COMT 9/4885FTO 1/4885ABCC3 3114/4885

“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.