SCHEMBL2752001

SCHEMBL2752001

Cc1ccc(-c2c[c]ccc2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.39
CYP17A1 P05093 1/20 0.38
NPC1 O15118 4/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
ELANE P08246 1/20 0.33
FFAR1 O14842 1/20 0.33
ESR1 P03372 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
LMNA P02545 1/20 0.31
ALPL P05186 1/20 0.31
CA9 Q16790 1/20 0.31
PSMB5 P28074 1/20 0.31

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
SCHEMBL2750831 0.85 S1PR4 (0.40) MAPTTP53MEN1KMT2ATDP1
SCHEMBL2452810 0.80 MAPT (0.40) ESR2CYP17A1NPC1MAPTTP53
SCHEMBL21647121 0.79 TRPA1 (0.41) NPC1MAPTTP53RAB9ASMN1; SMN2
SCHEMBL1370107 0.79 HTR7 (0.40) ESR2NPC1RAB9ASMN1; SMN2CA9
SCHEMBL1369576 0.77 CYP1A2 (0.32) FFAR1PSMB5
SCHEMBL1484123 0.76 MAPT (0.40) ESR2CYP17A1NPC1MAPTTP53
SCHEMBL3539156 0.76 TSHR (0.49) MAPTRAB9AMEN1KMT2ATDP1
SCHEMBL3536085 0.76 TSHR (0.49) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL30196173 0.76 ESR2 (0.47) ESR2CYP17A1NPC1MAPTTP53
SCHEMBL3285155 0.76 ESR2 (0.63) ESR2NPC1MAPTTP53RAB9A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
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
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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 (3 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 ESR2 339/4885CYP17A1 1845/4885NPC1 2404/4885
US-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds TPMT, NISCH, PPA1 ESR2 4708/4885CYP17A1 3044/4885NPC1 4195/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 ESR2 4385/4885CYP17A1 2236/4885NPC1 4528/4885

“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.