SCHEMBL4752346

SCHEMBL4752346

Clc1ccccc1-c1nnco1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 10/20 1.00
TSHR P16473 3/20 0.59
LMNA P02545 1/20 0.59
NPC1 O15118 3/20 0.59
TP53 P04637 3/20 0.59
RAB9A P51151 3/20 0.59
HPGD P15428 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NFKB1 P19838 1/20 0.47
CASP3 P42574 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SENP8 Q96LD8 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
CA12 O43570 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
SCHEMBL30208660 1.00 NOTUM (1.00) NOTUMTSHRLMNANPC1TP53
2-Mercaptoethanol SCHEMBL29085618 0.87 NOTUM (0.76) NOTUMTSHRLMNANPC1TP53
SCHEMBL3595066 0.85 NOTUM (1.00) NOTUMTSHRLMNAKMT2ACA12
SCHEMBL28844973 0.79 NOTUM (0.70) NOTUMTSHRLMNANPC1TP53
SCHEMBL27457889 0.77 NOTUM (0.70) NOTUMTSHRNPC1TP53RAB9A
SCHEMBL4276979 0.76 NOTUM (0.70) NOTUMTSHRNPC1TP53RAB9A
Fenadiazole SCHEMBL555484 0.76 NOTUM (0.61) NOTUMTSHRLMNANPC1TP53
SCHEMBL21061962 0.76 NOTUM (0.61) NOTUMTSHRLMNANPC1TP53
SCHEMBL12479205 0.76 NOTUM (0.61) NOTUMTSHRLMNANPC1TP53
SCHEMBL7050954 0.76 NOTUM (1.00) NOTUMTSHRLMNANPC1TP53

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 6 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
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US disclosed
CN-108774218-B Pyrimidine antitumor compound with 1,3, 4-oxadiazole structure and preparation method and application thereof 中国医科大学 2020-04-21 CN disclosed
EP-1966222-A2 PYRAZOLOTHIAZOLE PROTEIN KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2008-09-10 EP disclosed
US-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators SGX PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
WO-2007059341-A2 PYRAZOLOTHIAZOLE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-24 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 (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 1/4885TSHR 4585/4885LMNA 2507/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT NOTUM 5/4885TSHR 4463/4885LMNA 1919/4885
US-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators MAP4K2, MAP4K5, MAP4K3 NOTUM 4207/4885TSHR 1928/4885LMNA 3880/4885

“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.