SCHEMBL5004994

SCHEMBL5004994

CCc1nn(-c2ccc(C(N)=O)c3[nH]c(-c4ccccc4)nc23)c2c1C(=O)CC(C)(C)C2

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.48
HSP90AA1 P07900 4/20 0.48
OPRM1 P35372 7/20 0.43
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.37
PARP1 P09874 2/20 0.36
GAA P10253 1/20 0.36
BRD4 O60885 1/20 0.36
DHODH Q02127 2/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL5005722 0.89 OPRM1 (0.51) HSP90AB1HSP90AA1OPRM1KMT2AHTT
SCHEMBL5005512 0.87 HSP90AB1 (0.51) HSP90AB1HSP90AA1OPRM1ALDH1A1NPSR1
SCHEMBL17584093 0.85 PARP1 (0.36) HSP90AB1HSP90AA1PARP1DHODH
SCHEMBL5005802 0.82 HSP90AB1 (0.54) HSP90AB1HSP90AA1OPRM1ALDH1A1NPSR1
SCHEMBL17584136 0.77 DHODH (0.39) OPRM1PARP1DHODH
SCHEMBL5009923 0.76 OPRM1 (0.52) HSP90AB1HSP90AA1OPRM1
SCHEMBL17584087 0.72 HSP90AA1 (0.35) HSP90AB1HSP90AA1OPRM1PARP1
SCHEMBL5010057 0.71 OPRM1 (0.52) HSP90AB1HSP90AA1OPRM1
SCHEMBL3630113 0.71 HSP90AB1 (0.51) HSP90AB1HSP90AA1OPRM1ALDH1A1LMNA
SCHEMBL1221094 0.69 HSP90AB1 (0.60) HSP90AB1HSP90AA1OPRM1ALDH1A1NPSR1

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-20080269193-A1 Tetrahydroindole and Tetrahydroindazole Derivatives SERENEX, INC. 2008-10-30 US claimed
WO-2008130879-A2 TETRAHYDROINDOLE AND TETRAHYDROINDAZOLE DERIVATIVES SERENEX, INC. (US) 2008-10-30 WO disclosed
US-20080269193-A1 Tetrahydroindole and Tetrahydroindazole Derivatives SERENEX, INC. 2008-10-30 US disclosed
US-20080269193-A1 Tetrahydroindole and Tetrahydroindazole Derivatives SERENEX, INC. 2008-10-30 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-20080269193-A1 Tetrahydroindole and Tetrahydroindazole Derivatives HSF1, HSP90AB1, TPH1 HSP90AB1 2/4885HSP90AA1 4/4885OPRM1 2733/4885

“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.