SCHEMBL19958569

SCHEMBL19958569

O=C(OI)c1cc2c(n1S(=O)(=O)c1ccccc1)CCCCC2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.36
ALDH1A1 P00352 1/20 0.36
AKR1C3 P42330 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
SRC P12931 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NR1H3 Q13133 1/20 0.35
CYP2C9 P11712 1/20 0.34
MCL1 Q07820 1/20 0.34
NOD2 Q9HC29 1/20 0.34
NOD1 Q9Y239 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
RORC P51449 1/20 0.34
POLB P06746 1/20 0.34
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
SCHEMBL19958485 0.69 HTR6 (0.36) HTR6MEN1KMT2A
SCHEMBL7050238 0.69 CCR2 (0.56) AKR1C3MEN1KMT2ANOD1
SCHEMBL7047558 0.68 NOD2 (0.47) ALDH1A1MEN1KMT2ACYP2C9NOD2
SCHEMBL7957628 0.67 HTR1A (0.54) HTR6ALDH1A1MAPTSMN1; SMN2
SCHEMBL7961094 0.63 HTR6 (0.47) HTR6ALDH1A1MEN1KMT2APOLB
SCHEMBL20568164 0.62 MYC (0.54) ALDH1A1MEN1KMT2ATP53MAPT
SCHEMBL9617940 0.60 NOD2 (0.64) HTR6ALDH1A1MEN1KMT2AMCL1
SCHEMBL5136340 0.58 NOD2 (0.59) HTR6ALDH1A1SRCMEN1KMT2A
SCHEMBL4551501 0.58 SRC (0.46) ALDH1A1SRCCYP2C9NOD1MAPT
SCHEMBL9789169 0.57 PKM (0.46) ALDH1A1SRCMEN1KMT2ASMN1; SMN2

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 1040/4885ALDH1A1 1795/4885AKR1C3 1225/4885
US-10189838-B2 Aza-oxo-indoles for the treatment and prophylaxis of respiratory syncytial virus infection IDO1, ZC3HAV1, AZI2 HTR6 1374/4885ALDH1A1 1877/4885AKR1C3 984/4885

“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.