SCHEMBL4926706

SCHEMBL4926706

O=C(c1ccc(-c2ccncc2)s1)N1CCc2ccccc2C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.62
▸ RAB9A P51151 1/20 0.62
▸ HTT P42858 7/20 0.58
▸ ALDH1A1 P00352 7/20 0.58
▸ MAPT P10636 3/20 0.58
▸ GAA P10253 2/20 0.54
▸ HPGD P15428 9/20 0.52
▸ ROCK2 O75116 1/20 0.51
▸ ROCK1 Q13464 1/20 0.51
▸ LMNA P02545 4/20 0.47
▸ TSHR P16473 3/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 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
SCHEMBL10414745 0.79 HPGD (0.74) HTTALDH1A1GAAHPGDLMNA
SCHEMBL4927619 0.78 NPC1 (0.56) NPC1RAB9AHTTALDH1A1MAPT
SCHEMBL4929202 0.78 KDM4E (0.65) NPC1RAB9AALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL10414730 0.77 HPGD (0.72) HTTALDH1A1GAAHPGDLMNA
SCHEMBL4923412 0.77 MAPT (0.61) NPC1RAB9AHTTALDH1A1MAPT
SCHEMBL19396253 0.76 NPC1 (0.56) NPC1RAB9AHTTALDH1A1MAPT
SCHEMBL2057844 0.73 ALDH1A1 (0.56) NPC1RAB9AHTTALDH1A1MAPT
SCHEMBL8241175 0.71 GAA (0.72) HTTALDH1A1MAPTGAAHPGD
SCHEMBL4526775 0.70 RAB9A (0.71) NPC1RAB9AALDH1A1MAPTGAA
SCHEMBL4701573 0.69 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2

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 NPC1 204/4885RAB9A 1684/4885HTT 3128/4885

“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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