SCHEMBL4259512

SCHEMBL4259512

Clc1ccc(-c2csc(C3CCNCC3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.59
▸ ALDH1A1 P00352 3/20 0.56
▸ GAA P10253 1/20 0.56
▸ RAB9A P51151 6/20 0.50
▸ NPC1 O15118 5/20 0.50
▸ IKBKB O14920 1/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ LTA4H P09960 1/20 0.43
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ BAZ2A Q9UIF9 1/20 0.42

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
Hydrochloric Acid SCHEMBL1653293 0.99 ALDH1A1 (0.58) HPGDSALDH1A1GAARAB9ANPC1
Bromide SCHEMBL2979882 0.99 HPGDS (0.57) HPGDSALDH1A1GAARAB9ANPC1
SCHEMBL17183525 0.89 ALDH1A1 (0.63) HPGDSALDH1A1GAARAB9ANPC1
SCHEMBL4262100 0.85 HPGDS (0.59) HPGDSALDH1A1GAARAB9ANPC1
SCHEMBL3772350 0.85 HPGDS (0.59) HPGDSALDH1A1GAARAB9ANPC1
SCHEMBL4265265 0.85 HPGDS (0.61) HPGDSALDH1A1GAARAB9ANPC1
SCHEMBL2297392 0.85 HPGDS (0.78) HPGDSALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL4258789 0.85 HPGDS (0.55) HPGDSALDH1A1GAARAB9ANPC1
Bromide SCHEMBL2983628 0.84 HPGDS (0.57) HPGDSALDH1A1GAARAB9ANPC1
Bromide SCHEMBL2973216 0.84 HPGDS (0.76) HPGDSALDH1A1GAARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102099354-B Azole compound ASTELLAS PHARMA INC 2013-07-10 — — CN disclosed
US-8207199-B2 Azole compound ASTELLAS PHARMA INC. (JP) 2012-06-26 — — US disclosed
US-8207199-B2 Azole compound ASTELLAS PHARMA INC. (JP) 2012-06-26 — — US disclosed
CN-102099354-A Azole compound ASTELLAS PHARMA INC 2011-06-15 — — CN disclosed
US-20110118311-A1 AZOLE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-05-19 — — US disclosed
US-20110118311-A1 AZOLE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-05-19 — — US disclosed
WO-2010007966-A1 AZOLE COMPOUND アステラス製薬株式会社 (JP) 2010-01-21 — — WO disclosed
EP-1945635-B1 THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-05-06 — — EP disclosed
CN-101243078-A Thiazolyl piperidine derivatives useful as h3 receptor modulators HOFFMANN LA ROCHE (CH) 2008-08-13 — — CN 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-20110118311-A1 AZOLE COMPOUND FAAH, FAAH2, TRPV1 HPGDS 1623/4885ALDH1A1 293/4885GAA 3393/4885

“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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