SCHEMBL2829845

SCHEMBL2829845

CC(C)(C)COc1c(/C=C/c2nc3sccn3c2C(=O)O)cccc1OC(F)F

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 1/20 0.31
FLT1 P17948 1/20 0.31
KDR P35968 1/20 0.31
TEK Q02763 1/20 0.31
IDO1 P14902 1/20 0.31
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
ACMSD Q8TDX5 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 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
SCHEMBL2829848 1.00 HTT (0.34) HTTSMN1; SMN2RXFP1POLBTDP1
SCHEMBL2827313 0.90 MAPK1 (0.43) HTTSMN1; SMN2RXFP1POLBMAPK1
SCHEMBL2827316 0.90 MAPK1 (0.43) HTTSMN1; SMN2RXFP1POLBMAPK1
SCHEMBL2824759 0.90 ACMSD (0.38) POLBMAPK1IDO1ACMSDKDM4E
SCHEMBL2824763 0.90 ACMSD (0.38) POLBMAPK1IDO1ACMSDKDM4E
SCHEMBL2368441 0.88 HTT (0.31) HTTSMN1; SMN2RXFP1HPGD
SCHEMBL2368436 0.88 HTT (0.31) HTTSMN1; SMN2RXFP1HPGD
SCHEMBL2827252 0.87 RXFP1 (0.33) HTTSMN1; SMN2RXFP1POLBTDP1
SCHEMBL2826415 0.87 PTGES (0.35) HTTSMN1; SMN2RXFP1POLBTDP1
SCHEMBL2827246 0.87 RXFP1 (0.33) HTTSMN1; SMN2RXFP1POLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318928-B2 Fused imidazole carboxamides as TRPV3 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2012-11-27 US disclosed
US-20100152192-A1 FUSED IMIDAZOLE CARBOXAMIDES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A (CH) 2010-06-17 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-20100152192-A1 FUSED IMIDAZOLE CARBOXAMIDES AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV2 HTT 2666/4885SMN1; SMN2 3907/4885RXFP1 921/4885

“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.