SCHEMBL5434749

SCHEMBL5434749

O=C(O)C(Cc1cccc(Br)c1)c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
P4HTM Q9NXG6 1/20 0.44
CNR2 P34972 1/20 0.43
FPR2 P25090 2/20 0.43
HCAR2 Q8TDS4 2/20 0.43
EGFR P00533 2/20 0.43
ERBB2 P04626 2/20 0.43
EPHX1 P07099 1/20 0.42
PTGES O14684 1/20 0.41
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
MME P08473 2/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL5434743 0.83 PTGS1 (0.53) KMT2AP4HTMEPHX1MME
SCHEMBL31189310 0.80 PPARG (0.45) KMT2AP4HTMMEN1HTT
SCHEMBL29609793 0.80 EPHX1 (0.71) EGFRERBB2EPHX1PTGESSIGMAR1
SCHEMBL28605618 0.80 EPHX1 (0.71) EGFRERBB2EPHX1PTGESSIGMAR1
SCHEMBL3471743 0.80 HCAR2 (0.47) HCAR2EGFRERBB2PTGESSIGMAR1
SCHEMBL6006575 0.79 KMT2A (0.49) KMT2AFPR2
SCHEMBL27785183 0.78 HCAR2 (0.46) HCAR2EGFRERBB2PTGESSIGMAR1
SCHEMBL22264984 0.77 KDM6B (0.54) HCAR2EGFRERBB2PTGESSIGMAR1
SCHEMBL20702768 0.77 KDM6B (0.54) HCAR2EGFRERBB2PTGESSIGMAR1
SCHEMBL2030081 0.77 KDM6B (0.54) HCAR2EGFRERBB2PTGESSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070088067-A1 Novel amidine compounds for treating microbial infections GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2007-04-19 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-20070088067-A1 Novel amidine compounds for treating microbial infections ARG1, ARG2, GSDMD KMT2A 3066/4885P4HTM 897/4885CNR2 1646/4885

“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.