SCHEMBL19958485

SCHEMBL19958485

CSCc1c2c(n(S(=O)(=O)c3ccccc3)c1C(=O)OI)CCCCCC2

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.36
PTGDR2 Q9Y5Y4 4/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
GLA P06280 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTR2B P41595 1/20 0.32
KCNH2 Q12809 1/20 0.32
CNR2 P34972 1/20 0.32
PTGDR Q13258 1/20 0.32

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
SCHEMBL19958569 0.69 HTR6 (0.36) HTR6MEN1KMT2A
SCHEMBL29772182 0.59 CNR2 (0.44) HPGDKDM4EMEN1KMT2AHSD17B10
SCHEMBL17574716 0.59 MEN1 (0.46) HTR6HPGDKDM4EMEN1KMT2A
SCHEMBL1036352 0.56 HTR6 (0.46) HTR6NPC1HPGDRAB9AKDM4E
SCHEMBL7959965 0.55 KMT2A (0.39) HTR6PTGDR2KDM4EMEN1GLA
SCHEMBL8033752 0.55 HTR6 (0.61) HTR6
SCHEMBL3323737 0.54 HTR6 (1.00) HTR6PTGS1PTGS2
SCHEMBL23924021 0.53 KMT2A (0.42) PTGDR2HPGDKDM4EMEN1KMT2A
SCHEMBL31193322 0.53 ALDH1A1 (0.58) HPGDKDM4EMEN1KMT2AHSD17B10
SCHEMBL7961094 0.52 HTR6 (0.47) HTR6HPGDMEN1KMT2A

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-10189838-B2 Aza-oxo-indoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMAN-LA ROCHE INC. (US) 2019-01-29 US disclosed
US-20180072726-A9 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2018-03-15 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 (2 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-20180072726-A9 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION ZC3HAV1, IDO1, AZI2 HTR6 1040/4885PTGDR2 1903/4885NPC1 4049/4885
US-10189838-B2 Aza-oxo-indoles for the treatment and prophylaxis of respiratory syncytial virus infection IDO1, ZC3HAV1, AZI2 HTR6 1374/4885PTGDR2 1622/4885NPC1 3914/4885

“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.