SCHEMBL1721080

SCHEMBL1721080

CC(Br)c1ccc(SC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PTPRZ1 P23471 4/20 0.42
PTPN1 P18031 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
PDE2A O00408 7/20 0.37
SLC6A4 P31645 1/20 0.35
KIF11 P52732 1/20 0.35
HTT P42858 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
FKBP1A P62942 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL9967680 0.83 KDM4E (0.58) KDM4EALDH1A1TDP1PTPRZ1PTPN1
SCHEMBL9110897 0.79 KDM4E (0.54) KDM4EALDH1A1TDP1PTPRZ1PTPN1
SCHEMBL3306143 0.79 KDM4E (0.48) KDM4EALDH1A1TDP1PTPRZ1PTPN1
SCHEMBL3649499 0.79 KDM4E (0.54) KDM4EALDH1A1TDP1PTPRZ1PTPN1
SCHEMBL27685083 0.77 KDM4E (0.34) KDM4EALDH1A1TDP1PTPRZ1PTPN1
SCHEMBL27688226 0.75 ALDH1A1 (0.44) KDM4EALDH1A1TDP1PTPRZ1LMNA
SCHEMBL27688227 0.75 ALDH1A1 (0.44) KDM4EALDH1A1TDP1PTPRZ1PTPN1
SCHEMBL1415320 0.74 ESR1 (0.38) TDP1LMNAHTT
SCHEMBL18885111 0.73 KDM4E (0.42) KDM4EALDH1A1TDP1PTPRZ1PTPN1
SCHEMBL9774432 0.73 SLC6A4 (0.48) ALDH1A1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406265-A2 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-01-18 EP disclosed
WO-2010102778-A2 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2010-09-16 WO disclosed
US-20100234419-A1 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2010-09-16 US disclosed
CN-101048382-B Novel indole or benzimidazole derivatives HOFFMANN LA ROCHE 2010-05-05 CN disclosed
CN-101048382-A Novel Indole or Benzimidazole Derivatives HOFFMANN LA ROCHE (CH) 2007-10-03 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-20100234419-A1 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS KCNQ1, KCNQ2, KCNQ3 KDM4E 328/4885ALDH1A1 3278/4885TDP1 4117/4885

“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.