Sugi Predict

Sugi Predict / Compounds / SCHEMBL7250879

SCHEMBL7250879

SCHEMBL7250879

C[SiH](C)Oc1c(-c2ccccc2[N+](=O)[O-])cccc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TDP1 Q9NUW8 5/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ S100A4 P26447 2/20 0.37
▸ PTPRC P08575 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ HTT P42858 2/20 0.35
▸ TUBB4A P04350 2/20 0.35
▸ TUBB P07437 2/20 0.35
▸ TUBA3C P0DPH7 2/20 0.35
▸ TUBA1B P68363 2/20 0.35
▸ TUBA4A P68366 2/20 0.35
▸ TUBB4B P68371 2/20 0.35
▸ TUBB3 Q13509 2/20 0.35
▸ TUBB2A Q13885 2/20 0.35
▸ TUBB8 Q3ZCM7 2/20 0.35
▸ TUBA3E Q6PEY2 2/20 0.35
▸ TUBA1A Q71U36 2/20 0.35
▸ TUBA1C Q9BQE3 2/20 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
SCHEMBL7982437 0.93 MGAM (0.37) NPSR1TDP1ALDH1A1S100A4PTPRC
SCHEMBL7982354 0.88 ALDH1A1 (0.40) NPSR1TDP1ALDH1A1TSHRTUBB4A
SCHEMBL7249419 0.76 ALDH1A1 (0.41) TDP1ALDH1A1TSHRHSD17B10
SCHEMBL5367353 0.73 ALDH1A1 (0.38) NPSR1TDP1ALDH1A1TSHRHTT
SCHEMBL2949659 0.73 TDP1 (0.54) NPSR1TDP1ALDH1A1TSHRHSD17B10
SCHEMBL419987 0.72 NPSR1 (0.59) NPSR1TDP1ALDH1A1TSHRHSD17B10
SCHEMBL30486812 0.72 NPSR1 (0.59) NPSR1TDP1ALDH1A1TSHRHSD17B10
SCHEMBL10979000 0.71 TSHR (0.58) NPSR1TDP1ALDH1A1S100A4TSHR
SCHEMBL30535903 0.70 ALDH1A1 (0.74) TDP1ALDH1A1S100A4PTPRCTSHR
SCHEMBL1287837 0.70 ALDH1A1 (0.74) TDP1ALDH1A1S100A4PTPRCTSHR

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-6534506-B2 For therapy of cancer, neurofibromin benign proliferative disorder; blindness related to retinal vascularization; infections from hepatitis delta and related viruses; prophylaxis of restenosis; polycystic kidney disease MERCK & CO., INC. 2003-03-18 — — US disclosed
US-20020123497-A1 Inhibitors of prenyl-protein transferase MERCK SHARP & DOHME CORP. 2002-09-05 — — US disclosed
US-6441017-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2002-08-27 — — US disclosed
EP-1214326-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-06-19 — — EP disclosed
WO-2001018006-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 — — 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 (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-20020123497-A1 Inhibitors of prenyl-protein transferase FNTA, KRAS, NRAS NPSR1 4390/4885TDP1 3302/4885ALDH1A1 3836/4885

“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.