SCHEMBL4421994

SCHEMBL4421994

Cc1c(-c2ccc(C#N)cc2)ccc(O)c1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.44
CYP11B2 P19099 4/20 0.41
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2A6 P11509 1/20 0.39
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA14 Q9ULX7 1/20 0.39
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
KIF11 P52732 2/20 0.37
TTR P02766 1/20 0.36
ALB P02768 1/20 0.36
GYS1 P13807 1/20 0.36
AR P10275 3/20 0.36
CA1 P00915 1/20 0.35
GAA P10253 1/20 0.35
GRM2 Q14416 1/20 0.34

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
SCHEMBL7282954 0.84 AR (0.49) MMP3CYP11B2CA12CA2CA9
SCHEMBL2790747 0.76 MMP3 (0.41) MMP3CYP11B2ARGRM2
SCHEMBL7167167 0.73 ESR2 (0.50) MMP3CA12CA2CA9CA3
SCHEMBL24451136 0.72 ALDH1A1 (0.50) MMP3CYP11B2ALDH1A1CYP2A6KIF11
SCHEMBL2784352 0.72 MMP3 (0.43) MMP3CYP11B2CA12CA2CA9
SCHEMBL14524915 0.71 PDCD1 (0.43) MMP3CYP11B2CA12CA2CA9
SCHEMBL8124813 0.70 CYP11B2 (0.44) MMP3CYP11B2CA12CA2CA9
SCHEMBL7279896 0.70 CYP11B2 (0.44) MMP3CYP11B2CA12CA2CA9
SCHEMBL17239819 0.70 MMP3 (0.58) MMP3CYP11B2CA12CA2CA9
SCHEMBL2785232 0.70 TTR (0.41) MMP3CYP11B2KDM1AMAOATTR

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-7538138-B2 Amines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES (US) 2009-05-26 US disclosed
US-6969730-B2 Amines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES (US) 2005-11-29 US disclosed
US-20050192277-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2005-09-01 US disclosed
US-20020169188-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-11-14 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-20050192277-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH2 MMP3 3490/4885CYP11B2 2389/4885CA12 3263/4885
US-20020169188-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 MMP3 3450/4885CYP11B2 1940/4885CA12 3192/4885

“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.