SCHEMBL7170336

SCHEMBL7170336

Cc1[nH]c2ccc(S(=O)(=O)c3cccc4ccccc34)cc2c1CCNC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.47
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
PABPC1 P11940 1/20 0.43
ALOX15 P16050 1/20 0.43
SPR P35270 1/20 0.42
HDAC3 O15379 3/20 0.42
HDAC4 P56524 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC10 Q969S8 3/20 0.42
HDAC11 Q96DB2 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC9 Q9UKV0 3/20 0.42
HDAC5 Q9UQL6 3/20 0.42
MAPT P10636 7/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL6575604 0.88 MTNR1A (0.47) NQO2MTNR1AMTNR1BPABPC1ALOX15
SCHEMBL6579596 0.85 MTNR1A (0.47) NQO2MTNR1AMTNR1BPABPC1ALOX15
SCHEMBL6575505 0.84 MTNR1A (0.55) NQO2MTNR1AMTNR1BSPRMAPT
SCHEMBL6577255 0.83 MTNR1A (0.45) MTNR1AMTNR1BPABPC1ALOX15SPR
SCHEMBL6580148 0.82 MTNR1A (0.45) MTNR1AMTNR1BPABPC1ALOX15SPR
SCHEMBL7168801 0.81 NQO2 (0.46) NQO2MTNR1AMTNR1BSPRHDAC3
SCHEMBL29656869 0.80 PABPC1 (0.64) MTNR1AMTNR1BPABPC1ALOX15HDAC3
SCHEMBL6575504 0.80 HTR6 (0.49) MAPTSMN1; SMN2GFERTDP1MEN1
Hydrochloric Acid SCHEMBL6577794 0.79 HTR6 (0.48) MAPTSMN1; SMN2GFERTDP1
SCHEMBL4241544 0.76 MTNR1B (0.73) NQO2MTNR1AMTNR1BMAPTSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6565829-B2 Psychological disorders; central nervous system disorders PHARMACIA & UPJOHN COMPANY 2003-05-20 US claimed
US-20030060498-A1 5-arylsulfonyl indoles useful for treating disease PHARMACIA & UPJOHN COMPANY 2003-03-27 US claimed
US-6565829-B2 Psychological disorders; central nervous system disorders PHARMACIA & UPJOHN COMPANY 2003-05-20 US disclosed
US-20030060498-A1 5-arylsulfonyl indoles useful for treating disease PHARMACIA & UPJOHN COMPANY 2003-03-27 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-20030060498-A1 5-arylsulfonyl indoles useful for treating disease IDO1, HTR5A, IDO2 NQO2 791/4885MTNR1A 104/4885MTNR1B 106/4885

“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.