SCHEMBL23943606

SCHEMBL23943606

COc1cc(Oc2cc(C#N)cc(Cl)n2)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.43
AR P10275 5/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC22A12 Q96S37 4/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KDR P35968 1/20 0.36
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35

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
SCHEMBL8773189 0.83 GRM5 (0.47) GRM5KDM4ELMNAMAPK1L3MBTL1
SCHEMBL23925904 0.78 HSD17B14 (0.42) ARKMT2AMEN1CYP1A1CYP1B1
SCHEMBL5478842 0.77 AR (0.53) ARKDM4ELMNAMAPK1SLC6A4
SCHEMBL21610255 0.76 BRAF (0.45) HTR2ASLC6A4KCNH2KDR
SCHEMBL17609079 0.76 GRM5 (0.49) GRM5KDM4EL3MBTL1SLC22A12SLC6A4
SCHEMBL11296944 0.74 GRM5 (0.51) GRM5KDM4ELMNA
SCHEMBL24690169 0.74 GRM5 (0.51) GRM5KDM4ELMNAMAPK1L3MBTL1
SCHEMBL30020111 0.74 GRM5 (0.51) GRM5KDM4ELMNAMAPK1L3MBTL1
SCHEMBL18049170 0.73 GRM5 (0.51) GRM5KDM4ELMNAMAPK1L3MBTL1
SCHEMBL23504272 0.73 GRM5 (0.65) GRM5LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150940-A1 HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. 2023-05-18 US disclosed
US-20230150940-A1 HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. 2023-05-18 US disclosed
US-20230150940-A1 HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. 2023-05-18 US disclosed
WO-2021211974-A1 HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. (US) 2021-10-21 WO disclosed
WO-2021211974-A1 HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. (US) 2021-10-21 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 (1 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-20230150940-A1 HSD17B13 INHIBITORS AND USES THEREOF HSD17B1, HSD17B3, HSD17B13 GRM5 2973/4885AR 1419/4885KDM4E 3882/4885

“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.