SCHEMBL4474317

SCHEMBL4474317

O=C(O)NCCNc1ccc(I)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
EPHX1 P07099 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
TPMT P51580 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
TRPV1 Q8NER1 2/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
FPR2 P25090 4/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL3565228 0.82 EPHX1 (0.54) MAPTEPHX1ALDH1A1KDM4EHTT
SCHEMBL11528091 0.81 MAPT (0.55) MAPTCA1CA2ALDH1A1HTT
SCHEMBL7994942 0.81 MAPT (0.45) MAPTEPHX1CA12CA1CA2
SCHEMBL4484114 0.81 MEN1 (0.47) MAPTEPHX1ALDH1A1MEN1GAA
SCHEMBL23121013 0.78 POLB (0.59) MAPTCA12CA1CA2TPMT
SCHEMBL8200040 0.77 BCHE (0.49) EPHX1ALDH1A1KDM4EHTTMEN1
SCHEMBL14662144 0.77 MAPT (0.39) MAPTEPHX1ALDH1A1KDM4EHTT
SCHEMBL5804952 0.77 SAE1 (0.46) MAPTCA12CA1CA2CA7
SCHEMBL7984789 0.75 MAPT (0.64) MAPTALDH1A1KDM4EHTTMEN1
SCHEMBL25402312 0.75 FOLH1 (0.55) MAPTEPHX1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592358-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 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-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 MAPT 3717/4885EPHX1 3896/4885CA12 4335/4885

“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.