SCHEMBL2752055

SCHEMBL2752055

COc1cccc(-n2cc[c]n2)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.38
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP1B1 Q16678 1/20 0.37
MAPT P10636 4/20 0.36
ALDH1A1 P00352 2/20 0.36
HTR1A P08908 1/20 0.36
HTR3A P46098 1/20 0.36
NFE2L2 Q16236 4/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 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
SCHEMBL7263320 0.86 ALDH1A1 (0.36) CYP1A1CYP1A2CYP1B1MAPTALDH1A1
SCHEMBL558506 0.85 DRD2 (0.44) MAPTALDH1A1HTR3ANPC1RAB9A
SCHEMBL2753187 0.80 NQO2 (0.37) HSD17B10MAPTALDH1A1NFE2L2KDM4E
SCHEMBL2751917 0.75 GAA (0.36) HSD17B10MAPTALDH1A1NFE2L2KDM4E
SCHEMBL2751979 0.74 SMN1; SMN2 (0.38) HSD17B10CYP1A2MAPTALDH1A1NFE2L2
SCHEMBL2753809 0.73 HSD17B10 (0.38) HSD17B10MAPTHTR1AHTR3ANFE2L2
SCHEMBL17797064 0.72 APLNR (0.36) HTR1ANFE2L2NPC1RAB9A
SCHEMBL2751237 0.72 ALDH1A1 (0.54) HSD17B10CYP1A1CYP1A2CYP1B1MAPT
SCHEMBL2750741 0.72 SMN1; SMN2 (0.43) CYP1A1CYP1A2CYP1B1MAPTALDH1A1
SCHEMBL2753410 0.71 NFE2L2 (0.40) HSD17B10CYP1A1CYP1A2CYP1B1MAPT

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 HSD17B10 4561/4885CYP1A1 1616/4885CYP1A2 1087/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 HSD17B10 4236/4885CYP1A1 599/4885CYP1A2 149/4885

“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.