SCHEMBL1454959

SCHEMBL1454959

Nc1cc(C(=O)Nc2ncc(Br)s2)ccc1Sc1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.43
▸ MAPT P10636 5/20 0.41
▸ LMNA P02545 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CSNK2A2 P19784 1/20 0.41
▸ CSNK2B P67870 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.41
▸ CSNK2A3 Q8NEV1 1/20 0.41
▸ FBP1 P09467 1/20 0.39
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ KCNQ3 O43525 1/20 0.38
▸ KCNQ2 O43526 1/20 0.38

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
SCHEMBL1455838 0.84 MAPT (0.48) MAPTLMNAALDH1A1HPGDNPSR1
SCHEMBL1454476 0.83 NAMPT (0.41) HDAC1MAPTLMNAKDM4EALDH1A1
SCHEMBL1455113 0.81 MAPT (0.44) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL1455818 0.81 RAB9A (0.55) MAPTLMNAALDH1A1L3MBTL1MAPK1
SCHEMBL1453998 0.80 NPC1 (0.54) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL1454546 0.78 TP53 (0.49) HDAC1MAPTLMNAKDM4EALDH1A1
SCHEMBL1455746 0.75 MAPK1 (0.48) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL1455605 0.75 DEGS1 (0.50) HDAC1MAPTLMNAKDM4EALDH1A1
SCHEMBL1455344 0.73 NQO2 (0.50) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL1454120 0.73 TP53 (0.51) HDAC1MAPTLMNAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 — — EP disclosed
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 — — US disclosed
CN-101384591-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 — — CN 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 (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-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 HDAC1 1024/4885MAPT 1347/4885LMNA 3252/4885

“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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