SCHEMBL2751194

SCHEMBL2751194

Cc1cc(C)cc(Oc2c[c]ccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 2/20 0.36
ACHE P22303 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
AR P10275 2/20 0.34
POLB P06746 1/20 0.33
CYP2C9 P11712 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
TEAD4 Q15561 1/20 0.32
LMNA P02545 2/20 0.32

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
SCHEMBL919378 0.87 ALDH1A1 (0.53) ALDH1A1TDP1ACHEMAPK1MAPT
SCHEMBL8155454 0.83 LTA4H (0.43) ALDH1A1SMN1; SMN2TSHRMAPTMEN1
SCHEMBL920289 0.82 TEAD4 (0.47) ALDH1A1SMN1; SMN2TDP1ACHETSHR
SCHEMBL5543609 0.81 AR (0.40) ACHEAR
SCHEMBL2753555 0.81 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2ACHECYP3A4CYP2C9
SCHEMBL2751544 0.78 HTR2A (0.43) ALDH1A1SMN1; SMN2NPSR1TDP1ACHE
SCHEMBL61732 0.77 LTA4H (0.57) TSHRMEN1KMT2ANPC1RAB9A
SCHEMBL2753690 0.77 LTA4H (0.31) TSHR
SCHEMBL920377 0.77 VEGFA (0.33) TSHR
SCHEMBL1282838 0.77 TERT (0.39) ALDH1A1NPSR1TSHRMAPTKMT2A

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 1588/4885SMN1; SMN2 768/4885NPSR1 978/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 ALDH1A1 2607/4885SMN1; SMN2 824/4885NPSR1 1177/4885

“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.