SCHEMBL4295080

SCHEMBL4295080

O=C(O)N1CCN[C@H](CCSc2nc3cccnc3s2)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.40
ALDH1A1 P00352 7/20 0.38
HPGD P15428 5/20 0.35
REN P00797 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HSD17B10 Q99714 3/20 0.35
MAPK1 P28482 2/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 0.34
LTA4H P09960 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
CA9 Q16790 2/20 0.32
NR3C1 P04150 1/20 0.32
CXCR4 P61073 1/20 0.32

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 SCHEMBL4287015 0.84 ALDH1A1 (0.51) ALDH1A1HPGDSMN1; SMN2HSD17B10MAPK1
SCHEMBL4284650 0.77 CA1 (0.32) CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL4295188 0.73 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPK1POLBRAB9A
Hydrochloric Acid SCHEMBL4287846 0.73 SMN1; SMN2 (0.44) ALDH1A1HPGDSMN1; SMN2POLBRAB9A
Hydrochloric Acid SCHEMBL4285632 0.73 GAA (0.43) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1
Hydrochloric Acid SCHEMBL4284863 0.73 GAA (0.40) ALDH1A1HPGDSMN1; SMN2MAPK1POLB
SCHEMBL4289003 0.71 HTR1A (0.43) ALDH1A1SMN1; SMN2MAPTCA1CA2
SCHEMBL4293400 0.69 NPC1 (0.34) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL9211341 0.69 PDK1 (0.59) PDK1ALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4285115 0.69 CA1 (0.35) RENCA1CA2CA4CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US 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 (2 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT PDK1 1156/4885ALDH1A1 388/4885HPGD 106/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT PDK1 1156/4885ALDH1A1 388/4885HPGD 106/4885

“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.