SCHEMBL4290785

SCHEMBL4290785

O=C(O)N1CCN[C@H](CCCOc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.45
NPC1 O15118 7/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
RAB9A P51151 5/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TEAD1 P28347 1/20 0.43
TEAD3 Q99594 1/20 0.43
MAPT P10636 3/20 0.42
REN P00797 2/20 0.42
TSHR P16473 2/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 2/20 0.41
KCNA5 P22460 1/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40

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
SCHEMBL3493396 0.94 TEAD1 (0.46) PARP1NPC1SMN1; SMN2RAB9AHPGD
Hydrochloric Acid SCHEMBL4293711 0.92 PARP1 (0.45) PARP1NPC1SMN1; SMN2RAB9AHPGD
Hydrochloric Acid SCHEMBL4293709 0.92 PARP1 (0.45) PARP1NPC1SMN1; SMN2RAB9AHPGD
SCHEMBL4979175 0.85 LTA4H (0.52) PARP1RENL3MBTL1MEN1KMT2A
SCHEMBL28045093 0.85 LTA4H (0.52) PARP1RENL3MBTL1MEN1KMT2A
SCHEMBL4288512 0.85 LTA4H (0.52) PARP1RENL3MBTL1MEN1KMT2A
SCHEMBL13705157 0.85 CXCR4 (0.47) PARP1NPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL4861438 0.84 PARP1 (0.45) PARP1NPC1SMN1; SMN2RAB9AHPGD
SCHEMBL4861444 0.84 PARP1 (0.45) PARP1NPC1SMN1; SMN2RAB9AHPGD
SCHEMBL4282373 0.82 L3MBTL1 (0.47) PARP1SMN1; SMN2ALDH1A1MAPTTSHR

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 3 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
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 PARP1 3523/4885NPC1 1165/4885SMN1; SMN2 4811/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT PARP1 3523/4885NPC1 1165/4885SMN1; SMN2 4811/4885

“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.