SCHEMBL3267227

SCHEMBL3267227

Cc1nc2c(OCc3ccccc3)cc(C(=O)N(C)C)cc2n1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
TLR9 Q9NR96 3/20 0.41
TLR7 Q9NYK1 2/20 0.41
LRRK2 Q5S007 1/20 0.41
TRPV3 Q8NET8 1/20 0.38
CDK2 P24941 2/20 0.38
AURKA O14965 1/20 0.38
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C9 P11712 1/20 0.36
PTGER1 P34995 1/20 0.36
NR1H2 P55055 3/20 0.36
NR1H3 Q13133 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CCNT1 O60563 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK9 P50750 1/20 0.36

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
SCHEMBL3268910 0.88 HPGD (0.45) TLR9TLR7TRPV3CDK2NPC1
SCHEMBL4662880 0.83 BRD4 (0.50) BRD4LRRK2NPC1HPGDRAB9A
SCHEMBL30501981 0.81 BRD4 (0.48) BRD4LRRK2NPC1HPGDRAB9A
SCHEMBL4666497 0.80 BRD4 (0.47) BRD4LRRK2NPC1HPGDRAB9A
SCHEMBL3267586 0.78 AURKA (0.40) TLR9CDK2AURKANR1H2CCNA2
SCHEMBL1942215 0.77 BRD4 (0.44) BRD4LRRK2HPGDSMN1; SMN2CYP2C9
SCHEMBL4664610 0.76 BRD4 (0.47) BRD4LRRK2NPC1HPGDRAB9A
SCHEMBL4662927 0.75 BRD4 (0.48) BRD4LRRK2NPC1HPGDRAB9A
SCHEMBL4664584 0.75 BRD4 (0.43) BRD4LRRK2NPC1HPGDRAB9A
SCHEMBL4663172 0.75 BRD4 (0.47) BRD4LRRK2NPC1HPGDRAB9A

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
EP-1963311-B1 CHROMANE SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS ACID PUMP INHIBITORS RAQUALIA PHARMA INC (JP) 2010-06-16 EP disclosed
US-7723321-B2 Chromane substituted benzimidazole derivatives RAQUALIA PHARMA INC. (JP) 2010-05-25 US disclosed
US-20070142448-A1 Chromane Substituted Benzimidazole Derivatives PFIZER INC. 2007-06-21 US 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-20070142448-A1 Chromane Substituted Benzimidazole Derivatives HRH2, HRH4, HRH1 BRD4 299/4885TLR9 487/4885TLR7 770/4885

“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.