SCHEMBL2753418

SCHEMBL2753418

COc1ccc(-n2c[c]cn2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 3/20 0.42
CYP2C9 P11712 2/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 3/20 0.40
MAPK1 P28482 2/20 0.40
CYP1A2 P05177 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA2 P00918 2/20 0.38
ACHE P22303 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
HPGDS O60760 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2760925 0.77 CYP1A2 (0.46) CYP2C9LMNACYP1A2CA2CA12
SCHEMBL2751894 0.77 CYP1B1 (0.45) CYP2C9CYP1A2CA2CA12CA1
SCHEMBL2760897 0.76 NOTUM (0.53) LMNAMAPK1CYP1A2CA2ACHE
SCHEMBL2753700 0.73 ALDH1A1 (0.55) CYP2C9LMNAGAAL3MBTL1CA2
SCHEMBL2751136 0.73 NOTUM (0.30)
SCHEMBL2751393 0.73 NOTUM (0.42) LMNAGAACYP1A2L3MBTL1CA2
SCHEMBL27932708 0.72 NOTUM (0.49) BRD9CYP2C9MAPK1CYP1A2L3MBTL1
SCHEMBL2751848 0.71 BRD9 (0.41) BRD9CYP2C9LMNAGAAMAPK1
SCHEMBL14330903 0.71 ACHE (0.46) BRD9CYP2C9LMNAGAAMAPK1
SCHEMBL2754271 0.70 ALDH1A1 (0.44) LMNAMAPK1ALDH1A1SMN1; SMN2

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 BRD9 1771/4885CYP2C9 1148/4885LMNA 4514/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 BRD9 1082/4885CYP2C9 384/4885LMNA 3316/4885

“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.