SCHEMBL4295538

SCHEMBL4295538

[O]C1NC=Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.38
ATM Q13315 1/20 0.36
BRD4 O60885 1/20 0.34
CCL2 P13500 1/20 0.34
CYP2D6 P10635 2/20 0.33
PARP1 P09874 1/20 0.32
CYP3A4 P08684 3/20 0.31
KDM4E B2RXH2 3/20 0.31
MAPT P10636 3/20 0.31
TP53 P04637 2/20 0.31
HSD17B10 Q99714 2/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
LMNA P02545 1/20 0.31
CHRM2 P08172 1/20 0.31

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
SCHEMBL28164517 0.74 HTR2A (0.38) HTR2ABRD4CCL2CYP2D6PARP1
SCHEMBL10578702 0.74 HTR2A (0.38) HTR2AATMBRD4CCL2CYP2D6
SCHEMBL13782587 0.74 HTR2A (0.38) HTR2ABRD4CCL2CYP2D6PARP1
SCHEMBL15987500 0.74 HTR2A (0.38) HTR2AATMBRD4CCL2CYP2D6
SCHEMBL8285073 0.74 BRD4 (0.38) HTR2ABRD4CCL2CYP2D6PARP1
SCHEMBL2640847 0.74 HTR2A (0.42) HTR2ABRD4CCL2CYP2D6PARP1
SCHEMBL13782351 0.74 HTR2A (0.38) HTR2ABRD4CCL2CYP2D6PARP1
SCHEMBL8608156 0.74 ATM (0.40) HTR2AATMBRD4CCL2CYP3A4
SCHEMBL16341291 0.74 HTR2A (0.34) HTR2AATMBRD4CCL2CYP2D6
SCHEMBL16341292 0.74 HTR2A (0.34) HTR2AATMBRD4CCL2CYP2D6

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 HTR2A 4298/4885ATM 2921/4885BRD4 367/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HTR2A 4298/4885ATM 2921/4885BRD4 367/4885

“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.