SCHEMBL4500640

SCHEMBL4500640

CCOc1ccc(-c2nc3c(C)cc(C(CC)CC)cn3c2C(N)=O)c(CC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.47
SRC P12931 5/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNH2 Q12809 3/20 0.33
TSHR P16473 3/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.32
AHR P35869 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HIF1A Q16665 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
PARP10 Q53GL7 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
HSD17B10 Q99714 2/20 0.32
SRD5A2 P31213 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
SCHEMBL4494321 0.93 CRHR1 (0.44) CRHR1SRCSMN1; SMN2KCNH2TSHR
SCHEMBL4479301 0.92 CRHR1 (0.46) CRHR1KDM4EAKR1C3AKR1C2
SCHEMBL4498283 0.84 CRHR1 (0.54) CRHR1
SCHEMBL4483814 0.81 CRHR1 (0.45) CRHR1
SCHEMBL4479812 0.81 CRHR1 (0.39) CRHR1ALDH1A1MAPTKDM4ENPSR1
SCHEMBL4492009 0.80 CRHR1 (0.36) CRHR1
SCHEMBL4482995 0.76 CRHR1 (0.42) CRHR1SMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL4487108 0.75 CRHR1 (0.34) CRHR1
SCHEMBL4486617 0.73 CDC7 (0.47) CRHR1SMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL4499176 0.73 CRHR1 (0.46) CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281120-A1 BICYCLIC HETEROCYCLIC COMPOUND ONO PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US claimed
EP-1961745-A1 BICYCLIC HETEROCYCLIC COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-27 EP claimed
US-20090281120-A1 BICYCLIC HETEROCYCLIC COMPOUND ONO PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
EP-1961745-A1 BICYCLIC HETEROCYCLIC COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-27 EP 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 (1 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-20090281120-A1 BICYCLIC HETEROCYCLIC COMPOUND CRHR1, NR3C1, CNR1 CRHR1 1/4885SRC 1990/4885SMN1; SMN2 1713/4885

“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.