SCHEMBL13398662

SCHEMBL13398662

O=C(O)c1nc(C(F)(F)F)sc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 5/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ PIN1 Q13526 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HDAC6 Q9UBN7 3/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ PTGS2 P35354 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38

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
SCHEMBL14705606 0.88 PTGS2 (0.54) KDM4EALDH1A1HSD17B10CYP1A2HDAC6
SCHEMBL20376338 0.86 PTGS2 (0.44) KDM4EALDH1A1SMN1; SMN2HSD17B10PIN1
SCHEMBL2185640 0.84 HIPK4 (0.48) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL3320532 0.81 TRPM8 (0.51) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL11564670 0.80 PTGS2 (0.55) KDM4EALDH1A1SMN1; SMN2CYP1A2MAPK1
SCHEMBL5627898 0.78 ALOX5 (0.56) ALDH1A1CYP1A2CYP2C19PTGS2PTGS1
SCHEMBL6370493 0.77 KIF11 (0.49) KDM4EALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL4068223 0.76 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL496182 0.75 ALDH1A1 (0.69) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL9361016 0.75 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101605784-B Aza-bridged-ring compound ASTELLAS PHARMA INC JP 2013-04-10 — — CN disclosed
US-8367696-B2 Aza-bridged-ring compound ASTELLAS PHARMA INC. (JP) 2013-02-05 — — US disclosed
US-8367696-B2 Aza-bridged-ring compound ASTELLAS PHARMA INC. (JP) 2013-02-05 — — US disclosed
US-20100105658-A1 AZA-BRIDGED-RING COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 — — US disclosed
US-20100105658-A1 AZA-BRIDGED-RING COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 — — US disclosed
CN-101605784-A Aza-bridged-ring compound ASTELLAS PHARMA INC (JP) 2009-12-16 — — CN 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-20100105658-A1 AZA-BRIDGED-RING COMPOUND CHRM3, CHRM1, CHRM2 KDM4E 1245/4885ALDH1A1 2006/4885SMN1; SMN2 4664/4885

“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.

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