Sugi Predict

Sugi Predict / Compounds / SCHEMBL5482925

SCHEMBL5482925

SCHEMBL5482925

CCOC(=O)c1ncccc1CSc1nc2ccccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.56
▸ NPC1 O15118 4/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ POLB P06746 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.51
▸ HPGD P15428 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2E1 P05181 1/20 0.51
▸ CYP2C8 P10632 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2B6 P20813 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ MAPT P10636 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ NSD2 O96028 1/20 0.49
▸ ABL1 P00519 1/20 0.49

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
SCHEMBL5472730 0.88 MAPT (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL6474777 0.77 RAB9A (0.55) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL5477242 0.75 RAB9A (0.73) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL944312 0.74 POLB (0.72) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL6481902 0.74 NPC1 (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL9261397 0.73 MAPT (0.66) RAB9ANPC1SMN1; SMN2POLBALDH1A1
Water SCHEMBL6475900 0.73 NPC1 (0.61) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
Water SCHEMBL6475896 0.73 NPC1 (0.61) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL10333625 0.73 NPC1 (0.61) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL28472394 0.73 BRD4 (0.61) RAB9ANPC1SMN1; SMN2POLBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275995-A1 Thiobenzimidazole derivatives TEIJIN PHARMA LIMITED 2007-11-29 — — US disclosed
US-7268145-B2 Thiobenzimidazole derivatives TEIJIN PHARMA LIMITED (JP) 2007-09-11 — — US disclosed
US-20060040976-A1 Thiobenzimidazole derivatives TEIJIN LIMITED 2006-02-23 — — US disclosed
US-20050267148-A1 Benzimidazole derivative TEIJIN LIMITED 2005-12-01 — — US disclosed
EP-1097926-A1 THIOBENZIMIDAZOLE DERIVATIVES TEIJIN LIMITED (JP) 2001-05-09 — — EP 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 (3 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-20070275995-A1 Thiobenzimidazole derivatives CMA1, SERPINB1, TMPRSS15 RAB9A 2783/4885NPC1 525/4885SMN1; SMN2 2109/4885
US-20060040976-A1 Thiobenzimidazole derivatives CMA1, SERPINB1, TMPRSS15 RAB9A 2783/4885NPC1 525/4885SMN1; SMN2 2109/4885
US-20050267148-A1 Benzimidazole derivative CMA1, SERPINB1, TPSAB1 RAB9A 3040/4885NPC1 407/4885SMN1; SMN2 1588/4885

“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.