SCHEMBL1455818

SCHEMBL1455818

Nc1cc(C(=O)Nc2nccs2)ccc1Sc1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.55
▸ NPC1 O15118 10/20 0.55
▸ SMN1; SMN2 Q16637 5/20 0.55
▸ LMNA P02545 2/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ RECQL P46063 1/20 0.55
▸ POLB P06746 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ ESR2 Q92731 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MAPK1 P28482 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ SCD O00767 1/20 0.47
▸ METAP2 P50579 1/20 0.47
▸ METAP1 P53582 1/20 0.47
▸ PSMD14 O00487 1/20 0.47

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
SCHEMBL1454959 0.81 HDAC1 (0.43) RAB9ANPC1SMN1; SMN2LMNAL3MBTL1
SCHEMBL2956673 0.79 RAB9A (0.71) RAB9ANPC1SMN1; SMN2LMNAL3MBTL1
SCHEMBL1455113 0.76 MAPT (0.44) RAB9ANPC1SMN1; SMN2LMNAL3MBTL1
SCHEMBL1455605 0.76 DEGS1 (0.50) RAB9ANPC1LMNAL3MBTL1POLB
SCHEMBL1454182 0.75 NPC1 (0.42) RAB9ANPC1POLBMAPTESR2
SCHEMBL1453998 0.75 NPC1 (0.54) RAB9ANPC1SMN1; SMN2LMNAL3MBTL1
SCHEMBL1455344 0.74 NQO2 (0.50) RAB9ANPC1LMNAL3MBTL1POLB
SCHEMBL1454546 0.74 TP53 (0.49) RAB9ANPC1SMN1; SMN2LMNAL3MBTL1
SCHEMBL1454371 0.74 ALDH1A1 (0.60) RAB9ANPC1SMN1; SMN2LMNAL3MBTL1
SCHEMBL3190864 0.73 RAB9A (0.66) RAB9ANPC1SMN1; SMN2LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236950-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-08-07 — — US disclosed
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 — — EP disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 — — US disclosed
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 — — US disclosed
EP-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 — — EP disclosed
CN-101384591-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 — — CN disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 — — WO disclosed
EP-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 — — EP disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 — — US disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 — — 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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 RAB9A 571/4885NPC1 37/4885SMN1; SMN2 3135/4885
US-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 RAB9A 571/4885NPC1 37/4885SMN1; SMN2 3135/4885

“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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