SCHEMBL2750142

SCHEMBL2750142

COc1ccc(OC)c(-c2cs[c]n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.48
MEN1 O00255 6/20 0.48
NPC1 O15118 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.45
ADORA3 P0DMS8 2/20 0.44
CYP1A1 P04798 2/20 0.43
CYP1B1 Q16678 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL1435812 0.88 CYP1A1 (0.57) KMT2AMEN1NPC1ADORA3CYP1A1
SCHEMBL17626089 0.79 TSHR (0.37) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL1435851 0.79 CYP19A1 (0.47) ADORA3CA12CA1CA2CA7
SCHEMBL5255266 0.76 CYP1A2 (0.40) KMT2AMEN1NPC1CYP1A1CYP1B1
SCHEMBL5258364 0.75 IDO1 (0.42) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL679068 0.75 NPC1 (0.50) KMT2AMEN1NPC1CYP1A1CYP1B1
SCHEMBL2095558 0.74 PKM (0.47) KMT2AMEN1NPC1L3MBTL1ADORA3
SCHEMBL2751899 0.74 CA12 (0.50) KMT2AMEN1L3MBTL1CYP1A1CYP1B1
SCHEMBL2751578 0.74 CA12 (0.50) KMT2AMEN1L3MBTL1CYP1A1CYP1B1
SCHEMBL27667480 0.73 MEN1 (0.49) KMT2AMEN1NPC1L3MBTL1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178540-B2 Pyrimidylmethyl-sulfonamide compounds BASF SE (DE) 2012-05-15 US disclosed
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods BASF SE (DE) 2010-03-25 US disclosed
US-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds BASF SE (DE) 2010-03-18 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 (2 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-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds TPMT, NISCH, PPA1 KMT2A 702/4885MEN1 2487/4885NPC1 4195/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 KMT2A 388/4885MEN1 2802/4885NPC1 4528/4885

“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.