SCHEMBL3226232

SCHEMBL3226232

C#CCOC(=O)c1cc(F)c(F)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
NPC1 O15118 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MAOA P21397 3/20 0.40
MAOB P27338 3/20 0.40
ESR1 P03372 1/20 0.38
GSTP1 P09211 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
MAPT P10636 1/20 0.35
SERPINE1 P05121 1/20 0.35
TSHR P16473 1/20 0.35
CYP1A2 P05177 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
SCHEMBL2289482 0.89 NPC1 (0.50) ATMNPC1CA12CA1CA2
SCHEMBL3226310 0.84 ATM (0.43) ATMNPC1CA12CA1CA2
SCHEMBL3022955 0.79 NPC1 (0.59) ATMNPC1CA12CA1CA2
SCHEMBL9246003 0.78 SLC6A3 (0.41) NPC1ESR1TDP1CES2CES1
SCHEMBL2287363 0.78 NPC1 (0.46) ATMNPC1CA12CA1CA2
SCHEMBL9651582 0.76 NPC1 (0.47) ATMNPC1CA12CA1CA2
SCHEMBL7867585 0.75 CA2 (0.54) ATMNPC1CA12CA1CA2
SCHEMBL20572690 0.75 SERPINE1 (0.63) NPC1CA12CA1CA2CA9
SCHEMBL23025106 0.75 KDM4E (0.50) CA12CA1CA2CA9CA14
SCHEMBL10347608 0.75 HTT (0.51) ATMNPC1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069499-A1 AMIDE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 US disclosed
US-20100069499-A1 AMIDE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 US disclosed
US-20100069499-A1 AMIDE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 US disclosed
EP-2151431-A1 AMIDE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2010-02-10 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 (1 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-20100069499-A1 AMIDE COMPOUND AND USE THEREOF CBR1, CBR3, GBA1 ATM 2070/4885NPC1 533/4885CA12 70/4885

“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.