SCHEMBL2751237

SCHEMBL2751237

COc1ccc(OC)c(-n2cc[c]n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
TSHR P16473 2/20 0.54
MAPT P10636 6/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 3/20 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
CACNA1D Q01668 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 5/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NR1I2 O75469 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL2750741 0.88 SMN1; SMN2 (0.43) ALDH1A1TSHRMAPTLMNAKDM4E
SCHEMBL558506 0.79 DRD2 (0.44) ALDH1A1MAPTLMNACA12CA1
SCHEMBL2751861 0.75 CYP1B1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19CYP1A1
SCHEMBL7221616 0.75 HTT (0.44) CA12CA1CA2CA7CA9
SCHEMBL2751848 0.74 BRD9 (0.41) MAPTLMNACA12CA1CA2
SCHEMBL2751152 0.74 CA12 (0.50) ALDH1A1TSHRMAPTLMNACA12
SCHEMBL2750893 0.74 CA12 (0.50) ALDH1A1TSHRMAPTLMNACA12
SCHEMBL2753700 0.73 ALDH1A1 (0.55) ALDH1A1TSHRMAPTLMNAKDM4E
SCHEMBL2752764 0.71 MAPT (0.46) ALDH1A1TSHRMAPTLMNAKDM4E
SCHEMBL2753187 0.70 NQO2 (0.37) ALDH1A1MAPTLMNAKDM4ECA12

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 ALDH1A1 1588/4885TSHR 4024/4885MAPT 3912/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 ALDH1A1 2607/4885TSHR 3106/4885MAPT 3435/4885

“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.