SCHEMBL4289527

SCHEMBL4289527

FC(F)(F)c1cccc(C[C@@H]2CN(Cc3ccccc3)CCN2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.59
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
LTA4H P09960 1/20 0.49
SIGMAR1 Q99720 2/20 0.48
S1PR1 P21453 2/20 0.48
S1PR5 Q9H228 2/20 0.48
GRK5 P34947 1/20 0.48
CDK8 P49336 1/20 0.48
LMNA P02545 1/20 0.46
UBE2M P61081 1/20 0.45
DCUN1D1 Q96GG9 1/20 0.45
MLNR O43193 2/20 0.44
PDGFRA P16234 1/20 0.44
FAAH O00519 1/20 0.44
CCR2 P41597 1/20 0.44
SLC6A4 P31645 1/20 0.44

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
SCHEMBL3553516 0.88 TACR1 (0.55) TACR1KDM4EALDH1A1GAALTA4H
SCHEMBL3553519 0.88 TACR1 (0.55) TACR1KDM4EALDH1A1GAALTA4H
Hydrochloric Acid SCHEMBL5368301 0.87 TACR1 (0.54) TACR1KDM4EALDH1A1GAALTA4H
SCHEMBL4288249 0.84 LTA4H (0.52) TACR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL3491795 0.83 LTA4H (0.61) TACR1ALDH1A1LTA4HSIGMAR1BCHE
SCHEMBL18325 0.83 LTA4H (0.61) TACR1ALDH1A1LTA4HSIGMAR1BCHE
SCHEMBL24350 0.83 LTA4H (0.61) TACR1ALDH1A1LTA4HSIGMAR1BCHE
SCHEMBL13859622 0.81 GALR3 (0.44) TACR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL25404067 0.81 LTA4H (0.52) TACR1KMT2AKDM4ELTA4HSIGMAR1
SCHEMBL8122330 0.81 LTA4H (0.49) TACR1ALDH1A1LTA4HSIGMAR1BACE1

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 7 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-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 TACR1 97/4885MEN1 1254/4885KMT2A 1049/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT TACR1 97/4885MEN1 1254/4885KMT2A 1049/4885

“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.