Sugi Predict

Sugi Predict / Compounds / SCHEMBL5196676

SCHEMBL5196676

SCHEMBL5196676

COC(=O)c1ccc2c(C3CCCCC3)c(Br)n(CC(=O)N3CCOCC3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ HPGD P15428 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ MGLL Q99685 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ RXFP1 Q9HBX9 2/20 0.42
▸ CNR2 P34972 2/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL5198340 0.89 PRKCA (0.38) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL1173652 0.88 ALDH1A1 (0.41) ALDH1A1HPGDALOX15MGLLHSD17B10
SCHEMBL14311563 0.88 RXFP1 (0.41) ALDH1A1HPGDALOX15MGLLHSD17B10
SCHEMBL5199183 0.86 SCN9A (0.42) ALDH1A1HPGDALOX15MGLLHSD17B10
SCHEMBL771509 0.85 ALDH1A1 (0.44) ALDH1A1HPGDALOX15HSD17B10RXFP1
SCHEMBL10293471 0.85 ALDH1A1 (0.44) ALDH1A1HPGDALOX15HSD17B10RXFP1
SCHEMBL1173428 0.85 ALDH1A1 (0.44) ALDH1A1HPGDALOX15RXFP1CNR2
SCHEMBL1173704 0.84 SCN9A (0.51) ALDH1A1HPGDALOX15MGLLHSD17B10
SCHEMBL3079983 0.83 ALDH1A1 (0.42) ALDH1A1HPGDALOX15RXFP1CNR2
SCHEMBL5934718 0.83 NR1H4 (0.42) ALDH1A1HPGDALOX15MGLLHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. 2008-02-21 — — US disclosed
US-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. 2008-02-21 — — US disclosed
WO-2008011521-A2 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. (US) 2008-01-24 — — WO disclosed
EP-1844042-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2007-10-17 — — EP disclosed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 — — US disclosed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 — — WO 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-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS EIF2AK2, ZC3HAV1, MAVS ALDH1A1 2784/4885HPGD 3106/4885ALOX15 3411/4885
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 ALDH1A1 1627/4885HPGD 2684/4885ALOX15 1356/4885

“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.