SCHEMBL6469264

SCHEMBL6469264

Cc1c(Br)c(C)n(Cc2ccc(F)cc2)c1NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.46
MITF O75030 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
KCNQ4 P56696 3/20 0.39
KCNQ5 Q9NR82 3/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
FAAH O00519 1/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
TP53 P04637 1/20 0.38
BRD4 O60885 1/20 0.38
GNRHR P30968 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC8 Q9BY41 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
SCHEMBL6468119 0.79 AR (0.49) MAPTALDH1A1HTTMITFRAB9A
SCHEMBL6469593 0.71 MAPT (0.43) MAPTALDH1A1HTTMITFRAB9A
SCHEMBL6469416 0.70 MAPT (0.51) MAPTALDH1A1HTTRAB9AMEN1
SCHEMBL6469739 0.69 AR (0.52) MAPTALDH1A1HTTRAB9AMEN1
SCHEMBL17544747 0.67 GRM2 (0.45) MAPTMEN1KMT2ACTSSCTSK
SCHEMBL632848 0.67 MEN1 (0.54) MAPTALDH1A1HTTRAB9AMEN1
SCHEMBL1444314 0.66 HPGD (0.59) HTTKMT2AFAAHCTSSCTSK
SCHEMBL12300356 0.66 KCNQ4 (0.41) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL15996891 0.65 SMN1; SMN2 (0.53) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL31451498 0.65 EPHX2 (0.46) KCNQ4KCNQ5CNR1TP53BRD4

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-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2005-05-12 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-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative SHBG, PRLHR, FSHR MAPT 4864/4885ALDH1A1 2144/4885HTT 3428/4885

“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.