SCHEMBL4662913

SCHEMBL4662913

On1c(C(F)(F)F)nc2c(OCc3ccccc3)cc(Br)cc21

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 8/20 0.42
KDM1A O60341 2/20 0.39
PTPN1 P18031 1/20 0.39
MAOB P27338 1/20 0.38
SLC6A4 P31645 2/20 0.38
CYP1A2 P05177 1/20 0.36
MPO P05164 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
MRGPRX4 Q96LA9 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
SCHEMBL4663154 0.86 PTGER1 (0.40) PTGER1KDM1APTPN1MAOBSLC6A4
SCHEMBL4662895 0.73 MEN1 (0.46) PTGER1KDM1AMAOBSLC6A4CYP1A2
SCHEMBL30501926 0.71 TNF (0.47) PTGER1CYP1A2
SCHEMBL4664727 0.71 DRD4 (0.53) PTGER1KDM1APTPN1MAOBSLC6A4
SCHEMBL4664771 0.71 RHEB (0.48) PTGER1KDM1AMAOBSLC6A4
SCHEMBL18372654 0.71 TNF (0.47) PTGER1CYP1A2
SCHEMBL4663138 0.71 GCK (0.45) KDM1AMAOBSLC6A4
SCHEMBL34475846 0.70 MAOB (0.43) PTGER1KDM1AMAOBSLC6A4CYP1A2
SCHEMBL4664857 0.70 GCK (0.40) PTGER1MAOBSLC6A4CYP1A2
SCHEMBL4664610 0.69 BRD4 (0.47) MRGPRX4

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-20080113963-A1 Cyclic benzimidazoles ALTANA PHARMA AG (DE) 2008-05-15 US disclosed
US-7307084-B2 Cyclic benzimidazoles ALTANA PHARMA AG (DE) 2007-12-11 US disclosed
US-20060194968-A1 Cyclic benizimidazoles ALTANA PHARMA AG (DE) 2006-08-31 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 (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-20060194968-A1 Cyclic benizimidazoles VIP, SI, GIPR PTGER1 308/4885KDM1A 1161/4885PTPN1 3353/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI PTGER1 2767/4885KDM1A 3988/4885PTPN1 4681/4885

“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.