SCHEMBL10040499

SCHEMBL10040499

Clc1cccc(-c2csc(C3CCNCC3)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.60
PLAT P00750 1/20 0.53
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
CYP19A1 P11511 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 2/20 0.46
ATP4A P20648 2/20 0.46
ATP4B P51164 2/20 0.46
ACP1 P24666 1/20 0.46
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
ABL1 P00519 1/20 0.44
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 3/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL3772059 0.84 HPGDS (0.64) HPGDSPLATSMN1; SMN2ALDH1A1GAA
SCHEMBL4259512 0.83 HPGDS (0.59) HPGDSRAB9ANPC1CYP19A1SMN1; SMN2
SCHEMBL2297392 0.83 HPGDS (0.78) HPGDSPLATRAB9ANPC1SMN1; SMN2
Bromide SCHEMBL2986096 0.83 HPGDS (0.62) HPGDSPLATSMN1; SMN2ALDH1A1GAA
SCHEMBL4258789 0.83 HPGDS (0.55) HPGDSRAB9ANPC1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL1653293 0.82 ALDH1A1 (0.58) HPGDSRAB9ANPC1CYP19A1SMN1; SMN2
Bromide SCHEMBL2979882 0.82 HPGDS (0.57) HPGDSRAB9ANPC1CYP19A1SMN1; SMN2
SCHEMBL4260528 0.82 HPGDS (0.58) HPGDSPLATSMN1; SMN2ALDH1A1GAA
Hydrochloric Acid SCHEMBL3768256 0.82 HPGDS (0.76) HPGDSPLATRAB9ANPC1SMN1; SMN2
Bromide SCHEMBL2973216 0.82 HPGDS (0.76) HPGDSPLATRAB9ANPC1SMN1; SMN2

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-2308869-B1 AZOLE COMPOUND ASTELLAS PHARMA INC (JP) 2012-09-19 EP 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
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

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 1623/4885PLAT 3544/4885RAB9A 2756/4885

“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.