SCHEMBL14189673

SCHEMBL14189673

Cc1ccc2nc(NC(=O)CCN(C)C)sc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.70
▸ NPC1 O15118 4/20 0.70
▸ POLB P06746 2/20 0.70
▸ MITF O75030 1/20 0.70
▸ APEX1 P27695 1/20 0.70
▸ TDP1 Q9NUW8 1/20 0.70
▸ SMN1; SMN2 Q16637 5/20 0.66
▸ LMNA P02545 5/20 0.66
▸ TP53 P04637 3/20 0.66
▸ STAT1 P42224 1/20 0.66
▸ ACP1 P24666 1/20 0.66
▸ DYRK1A Q13627 1/20 0.64
▸ ALDH1A1 P00352 3/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ MAPT P10636 5/20 0.61
▸ KLF5 Q13887 1/20 0.61
▸ KMT2A Q03164 5/20 0.60
▸ MEN1 O00255 4/20 0.60
▸ CLK1 P49759 1/20 0.58
▸ PTPN1 P18031 1/20 0.58

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
SCHEMBL14189669 0.83 RAB9A (0.74) RAB9ANPC1POLBMITFAPEX1
SCHEMBL20408272 0.82 RAB9A (0.78) RAB9ANPC1POLBMITFAPEX1
SCHEMBL19844563 0.82 RAB9A (0.78) RAB9ANPC1POLBMITFAPEX1
SCHEMBL14189674 0.82 PTPN1 (0.61) RAB9ANPC1POLBMITFAPEX1
SCHEMBL29500269 0.82 RAB9A (0.72) RAB9ANPC1POLBMITFAPEX1
SCHEMBL7924717 0.82 RAB9A (0.72) RAB9ANPC1POLBMITFAPEX1
SCHEMBL29477216 0.82 RAB9A (0.72) RAB9ANPC1POLBMITFAPEX1
SCHEMBL28384921 0.82 RAB9A (0.72) RAB9ANPC1POLBMITFAPEX1
SCHEMBL10936133 0.82 DYRK1A (0.74) RAB9ANPC1POLBMITFAPEX1
SCHEMBL19844517 0.82 RAB9A (0.72) RAB9ANPC1POLBMITFAPEX1

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-20080118969-A1 BIS-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE LLC (US) 2008-05-22 — — US disclosed
US-7339078-B2 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE LLC (US) 2008-03-04 — — US disclosed
US-20070037754-A1 Inhibitors of HIV protease; 2S-[[(N-methylamino)acetyl]amino]-N-[2R-hydroxy-3-[[(1,3-benzodioxol-5-yl)sulfonyl](2-methylpropyl)amino)-1S-(phenylmethyl)propyl]-3,3-dimethyl-butanamide G.D. SEARLE & CO. (US) 2007-02-15 — — US disclosed
US-7161033-B2 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. (US) 2007-01-09 — — US disclosed
US-20070004646-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-01-04 — — 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 (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-20070037754-A1 Inhibitors of HIV protease; 2S-[[(N-methylamino)acetyl]amino]-N-[2R-hydroxy-3-[[(1,3-benzodioxol-5-yl)sulfonyl](2-methylpropyl)amino)-1S-(phenylmethyl)propyl]-3,3-dimethyl-butanamide DNPEP, PREP, ANPEP RAB9A 3516/4885NPC1 2137/4885POLB 2012/4885
US-20070004646-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, ANPEP RAB9A 2317/4885NPC1 2716/4885POLB 1516/4885

“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.

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