SCHEMBL4293262

SCHEMBL4293262

COC(=O)c1ncn(C2CCCC2)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.43
SLC6A4 P31645 1/20 0.43
ALDH1A1 P00352 8/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CNR1 P21554 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HSD17B10 Q99714 3/20 0.40
GAA P10253 1/20 0.40
CASP3 P42574 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPK1 P28482 2/20 0.39
NPC1 O15118 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL4285173 0.99 ALDH1A1 (0.45) SLC6A3SLC6A4ALDH1A1TP53MAPT
SCHEMBL4282795 0.99 ALDH1A1 (0.45) SLC6A3SLC6A4ALDH1A1TP53MAPT
SCHEMBL4294596 0.91 SLC6A3 (0.44) SLC6A3SLC6A4ALDH1A1TP53MAPT
SCHEMBL4294592 0.91 SLC6A3 (0.44) SLC6A3SLC6A4ALDH1A1TP53MAPT
SCHEMBL3494123 0.89 SLC6A4 (0.44) SLC6A3SLC6A4ALDH1A1MAPTCYP3A4
SCHEMBL8240101 0.87 PIM1 (0.42) SLC6A3SLC6A4ALDH1A1MAPTCYP3A4
Hydrochloric Acid SCHEMBL3493695 0.86 PIM1 (0.41) SLC6A3SLC6A4ALDH1A1MAPTCYP3A4
SCHEMBL3492984 0.86 MEN1 (0.40) SLC6A3SLC6A4ALDH1A1MAPTCYP3A4
SCHEMBL3494782 0.86 CYP11B2 (0.44) SLC6A3SLC6A4ALDH1A1TP53MAPT
SCHEMBL3494237 0.84 DRD4 (0.48) ALDH1A1HSD17B10KDM4E

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
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
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
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 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 (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 SLC6A3 372/4885SLC6A4 529/4885ALDH1A1 388/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT SLC6A3 372/4885SLC6A4 529/4885ALDH1A1 388/4885

“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.