SCHEMBL2750651

SCHEMBL2750651

COc1cccc(OC)c1Oc1cc[c]cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 3/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
AR P10275 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 4/20 0.33

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
SCHEMBL2751860 0.90 SMN1; SMN2 (0.41) SMN1; SMN2TSHRMAPK1CA12CA1
SCHEMBL2751987 0.76 SLC6A2 (0.33) MEN1KMT2A
SCHEMBL2902917 0.76 RARG (0.35) LMNAKMT2AKDM4E
SCHEMBL37909 0.76
SCHEMBL7953772 0.75 ALDH1A1 (0.55) SMN1; SMN2TSHRMAPK1CA1CA2
SCHEMBL2752366 0.75 SMN1; SMN2 (0.46) SMN1; SMN2TSHRMAPK1CA12CA1
SCHEMBL2897755 0.75 SMN1; SMN2 (0.55) SMN1; SMN2TSHRLMNAMEN1NPC1
SCHEMBL2752841 0.74 CA2 (0.47) MAPK1CA12CA1CA2CA7
SCHEMBL2903058 0.74 MEN1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL2750790 0.73 SMN1; SMN2 (0.43) SMN1; SMN2TSHRMAPK1CA12CA1

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 SMN1; SMN2 768/4885TSHR 4024/4885MAPK1 2890/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 SMN1; SMN2 824/4885TSHR 3106/4885MAPK1 2457/4885

“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.