SCHEMBL2906394

SCHEMBL2906394

NCc1cc(-c2cccc(Cl)c2)no1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 1.00
CYP2C19 P33261 3/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2E1 P05181 1/20 0.59
CYP2A6 P11509 1/20 0.59
CYP2B6 P20813 1/20 0.59
L3MBTL1 Q9Y468 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
ALPG P10696 1/20 0.51
TAAR1 Q96RJ0 1/20 0.49
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HPGD P15428 1/20 0.47
STAT3 P40763 1/20 0.47
STAT1 P42224 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 2/20 0.47
MMP2 P08253 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
SCHEMBL22481605 0.85 NOTUM (0.74) NOTUMCYP2C19CYP2C9L3MBTL1TDP1
SCHEMBL22481505 0.84 NOTUM (0.72) NOTUMCYP2C19CYP2C9L3MBTL1TDP1
SCHEMBL1544352 0.84 NOTUM (0.72) NOTUMCYP2C19CYP2C9L3MBTL1TDP1
SCHEMBL3989816 0.82 NOTUM (0.70) NOTUMCYP2C19CYP2C9CYP2E1CYP2A6
SCHEMBL2900978 0.81 NOTUM (1.00) NOTUMCYP2C19CYP2C9CYP2E1CYP2A6
SCHEMBL5744065 0.81 NOTUM (0.68) NOTUMCYP2C19CYP2C9L3MBTL1TDP1
SCHEMBL2123479 0.81 NOTUM (1.00) NOTUMCYP2C19CYP2C9CYP2E1CYP2A6
SCHEMBL4945191 0.80 NOTUM (0.67) NOTUMCYP2C19CYP2C9L3MBTL1TDP1
SCHEMBL27788409 0.79 NOTUM (0.65) NOTUMCYP2C19CYP2C9L3MBTL1TDP1
SCHEMBL3988491 0.78 NOTUM (0.64) NOTUMCYP2C19CYP2C9CYP2E1CYP2A6

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
US-11634391-B2 Compounds which are inhibitors of Notum UCL BUSINESS LTD (GB) 2023-04-25 US disclosed
EP-3843844-A1 COMPOUNDS UCL Business Ltd (GB) 2021-07-07 EP disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US disclosed
WO-2020043866-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2020-03-05 WO disclosed
US-7790759-B2 Glycyrrhetinic acid-30-amide derivatives and their use TIANJIN INSTITUTE OF PHARMACEUTICAL RESEARCH (CN) 2010-09-07 US disclosed
EP-1935892-B1 GLYCYRRHETINIC ACID-30-AMIDE DERIVATIVES AND THE USES THEREOF TIANJIN INST PHARM RESEARCH (CN) 2010-08-11 EP disclosed
US-20080214636-A1 Glycyrrhetinic Acid-30-Amide Derivatives and Their Use TIANJIN INSTITUTE OF PHARMACEUTICAL RESEARCH (CN) 2008-09-04 US disclosed
EP-1935892-A1 GLYCYRRHETINIC ACID-30-AMIDE DERIVATIVES AND THE USES THEREOF TIANJIN INSTITUTE OF PHARMACEUTICAL RESEARCH (CN) 2008-06-25 EP 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-11634391-B2 Compounds which are inhibitors of Notum NOTUM, GOT2, GOT1 NOTUM 1/4885CYP2C19 4347/4885CYP2C9 4595/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT NOTUM 5/4885CYP2C19 4252/4885CYP2C9 4500/4885
US-20080214636-A1 Glycyrrhetinic Acid-30-Amide Derivatives and Their Use IL36G, CYP26A1, IL17A NOTUM 2772/4885CYP2C19 42/4885CYP2C9 90/4885

“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.