SCHEMBL3595066

SCHEMBL3595066

Clc1cccc(-c2nnco2)c1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 12/20 1.00
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
PDK2 Q15119 1/20 0.49
TLR8 Q9NR97 1/20 0.44
KMT2A Q03164 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
P2RX7 Q99572 1/20 0.42

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 0.85 NOTUM (1.00) NOTUMLMNATSHRPDK2KMT2A
SCHEMBL4752346 0.85 NOTUM (1.00) NOTUMLMNATSHRPDK2KMT2A
SCHEMBL18190476 0.82 NOTUM (0.70) NOTUMLMNATSHRPDK2TLR8
SCHEMBL3586821 0.78 NOTUM (1.00) NOTUMLMNATSHRPDK2P2RX7
2-Mercaptoethanol SCHEMBL29085618 0.74 NOTUM (0.76) NOTUMLMNATSHRPDK2KMT2A
SCHEMBL28844973 0.73 NOTUM (0.70) NOTUMLMNATSHRPDK2TLR8
SCHEMBL3624979 0.72 NOTUM (0.59) NOTUMLMNATSHRPDK2TLR8
SCHEMBL21776954 0.71 NOTUM (1.00) NOTUMPDK2
SCHEMBL2210038 0.70 NOTUM (0.58) NOTUMLMNATSHRPDK2KMT2A
SCHEMBL30413010 0.70 NOTUM (0.58) NOTUMLMNATSHRPDK2KMT2A

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
US-7709469-B2 P2X7 receptor antagonists and methods of use ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
EP-1951689-A1 P2X7 RECEPTOR ANTAGONISTS AND METHODS OF USE ABBOTT LABORATORIES (US) 2008-08-06 EP disclosed
WO-2007056046-A1 P2X7 RECEPTOR ANTAGONISTS AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-05-18 WO disclosed
US-20070105842-A1 P2X7 receptor antagonists and methods of use ABBVIE INC. 2007-05-10 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 (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 1/4885LMNA 2507/4885TSHR 4585/4885
US-20070105842-A1 P2X7 receptor antagonists and methods of use P2RX7, P2RX1, P2RX3 NOTUM 4530/4885LMNA 2778/4885TSHR 523/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT NOTUM 5/4885LMNA 1919/4885TSHR 4463/4885

“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.