SCHEMBL2177455

SCHEMBL2177455

CCOc1[c]ncc(C(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
TSHR P16473 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
NPBWR1 P48145 1/20 0.30
MCHR1 Q99705 1/20 0.30
ALPL P05186 1/20 0.30
RXRA P19793 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL2177677 0.79 HDAC4 (0.31)
SCHEMBL2177648 0.76 S1PR1 (0.32)
SCHEMBL2178741 0.76 NQO1 (0.39) TSHRKDM4EALDH1A1MAPTTDP1
SCHEMBL2177955 0.75
SCHEMBL2179599 0.74 PTGS2 (0.31)
SCHEMBL2179782 0.74 FGFR1 (0.31)
SCHEMBL2178211 0.74 CHRNB2 (0.34) POLBTSHRKDM4EALDH1A1
SCHEMBL2179984 0.73 CYP11B1 (0.36) KDM4EALDH1A1MAPT
SCHEMBL2178658 0.72
SCHEMBL2180095 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166162-A1 1,2-Benzisothiazole Compounds Useful for Combating Animal Pests BASF SE (DE) 2011-07-07 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 (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-20110166162-A1 1,2-Benzisothiazole Compounds Useful for Combating Animal Pests GLRX3, CBR3, PRDX1 POLB 4798/4885TSHR 82/4885KDM4E 4261/4885

“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.