SCHEMBL4923412

SCHEMBL4923412

O=C(c1ccc(-c2ccncc2)s1)N1CCN(c2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.61
▸ KMT2A Q03164 5/20 0.57
▸ LMNA P02545 2/20 0.57
▸ TP53 P04637 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ ALDH1A1 P00352 6/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ USP2 O75604 3/20 0.50
▸ TSHR P16473 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ POLB P06746 2/20 0.49
▸ NR4A1 P22736 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ ESR2 Q92731 1/20 0.49
▸ CTDSP1 Q9GZU7 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL4929202 0.82 KDM4E (0.65) MAPTLMNAALDH1A1NPC1SLC6A7
SCHEMBL3577430 0.81 RECQL (0.67) KMT2AALDH1A1MEN1TSHRRECQL
SCHEMBL4926904 0.78 OPRL1 (0.53) —
SCHEMBL4926706 0.77 NPC1 (0.62) MAPTLMNAHTTALDH1A1USP2
SCHEMBL14034395 0.76 CYP2C19 (0.40) MAPTKMT2AALDH1A1MEN1USP2
SCHEMBL14134496 0.76 NPSR1 (0.67) MAPTKMT2AALDH1A1MEN1TSHR
SCHEMBL5721886 0.75 MAPT (0.68) MAPTKMT2ALMNATP53HTT
SCHEMBL23244365 0.74 ME2 (0.66) MAPTKMT2ALMNAALDH1A1MEN1
SCHEMBL2057993 0.72 ALDH1A1 (0.57) MAPTKMT2ALMNATP53HTT
SCHEMBL3573771 0.72 SLC6A7 (0.81) KMT2AALDH1A1MEN1USP2TSHR

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-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 — — US claimed
EP-1708697-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-11-28 — — EP claimed
EP-1708697-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 — — EP claimed
WO-2005074642-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-18 — — WO claimed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 — — US disclosed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 — — US disclosed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 — — US disclosed
EP-1708697-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-11-28 — — EP disclosed
EP-1708697-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 — — EP disclosed
WO-2005074642-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-18 — — 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-20080293716-A1 Chemical Compounds CYP11B2, CYP11B1, REN MAPT 1904/4885KMT2A 4386/4885LMNA 2094/4885

“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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