SCHEMBL12989014

SCHEMBL12989014

c1ccc(COc2ccc(-n3cccn3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS2 P35354 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
RAB9A P51151 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAOB P27338 3/20 0.49
NOTUM Q6P988 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
MAOA P21397 1/20 0.49
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48

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
SCHEMBL12989738 0.81 LMNA (0.50) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL29068134 0.81 DRD2 (0.42) LMNARAB9ASMN1; SMN2NOTUMDRD2
SCHEMBL1188120 0.80 CYP19A1 (0.60) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL1186646 0.79 LMNA (0.55) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL8131937 0.79 NOTUM (0.53) LMNARAB9ASMN1; SMN2NOTUMMAPT
SCHEMBL21477286 0.79 APP (0.55) RAB9ASMN1; SMN2MAOBNOTUMGAA
SCHEMBL7008972 0.78 NOTUM (0.56) RAB9ASMN1; SMN2NOTUMMAOADRD2
SCHEMBL6327723 0.78 L3MBTL1 (0.61) LMNAL3MBTL1SMN1; SMN2GAAMAPT
SCHEMBL27331705 0.78 SMN1; SMN2 (0.56) RAB9ASMN1; SMN2NOTUMDRD2DRD4
SCHEMBL21480868 0.77 NOTUM (0.42) RAB9ASMN1; SMN2MAOBNOTUMGAA

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
EP-2694472-B1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
US-9527807-B2 Sulfonamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 US disclosed
EP-2694472-A2 SULFONAMIDE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2014-02-12 EP disclosed
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 US disclosed
WO-2012137982-A9 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-14 WO disclosed
WO-2012137982-A2 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-11 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-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF GRIN2A, GRIN2B, SLC1A2 LMNA 4794/4885CYP1A2 1155/4885PTGS1 3041/4885

“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.