SCHEMBL14096592

SCHEMBL14096592

COc1ccc(-c2nc3cc(NC(=S)NC(=O)Cc4ccccc4)ccc3o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 1.00
▸ RAB9A P51151 6/20 1.00
▸ ALDH1A1 P00352 5/20 1.00
▸ NPC1 O15118 4/20 1.00
▸ MEN1 O00255 2/20 1.00
▸ KMT2A Q03164 2/20 1.00
▸ SMN1; SMN2 Q16637 4/20 0.82
▸ HPGD P15428 3/20 0.82
▸ KDM4E B2RXH2 2/20 0.82
▸ TDP1 Q9NUW8 1/20 0.78
▸ L3MBTL1 Q9Y468 1/20 0.78
▸ KDR P35968 5/20 0.68
▸ CHIA Q9BZP6 1/20 0.68
▸ LMNA P02545 2/20 0.65
▸ USP2 O75604 1/20 0.65
▸ RXFP1 Q9HBX9 3/20 0.62
▸ POLB P06746 2/20 0.61
▸ PPARG P37231 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ NR2E3 Q9Y5X4 1/20 0.61

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
SCHEMBL2246316 0.80 ALDH1A1 (0.87) MAPTRAB9AALDH1A1NPC1MEN1
SCHEMBL14096626 0.80 RAB9A (1.00) MAPTRAB9AALDH1A1NPC1MEN1
SCHEMBL14096536 0.79 DUSP1 (0.75) MAPTRAB9AALDH1A1NPC1MEN1
SCHEMBL2246252 0.79 SMN1; SMN2 (0.81) MAPTRAB9AALDH1A1NPC1MEN1
SCHEMBL22043468 0.79 MAPT (0.69) MAPTRAB9AALDH1A1NPC1MEN1
SCHEMBL2244509 0.78 MAPT (0.79) MAPTRAB9AALDH1A1NPC1MEN1
SCHEMBL2242922 0.78 KDM4E (0.76) MAPTRAB9AALDH1A1NPC1MEN1
SCHEMBL2246157 0.78 KDM4E (0.74) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL2247470 0.78 MAPT (0.89) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL2245308 0.78 MAPT (0.81) MAPTRAB9AALDH1A1NPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 — — US disclosed
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 — — 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-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 MAPT 4038/4885RAB9A 3144/4885ALDH1A1 2930/4885

“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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