SCHEMBL6464873

SCHEMBL6464873

COC(=O)c1c(-c2ccc(C#N)cc2)c[nH]c1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.68
KMT2A Q03164 3/20 0.46
POLB P06746 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
AR P10275 1/20 0.46
KDM4E B2RXH2 1/20 0.44
CISD2 Q8N5K1 1/20 0.42
LMNA P02545 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KDM1A O60341 4/20 0.39
EGLN2 Q96KS0 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4919275 0.85 HTT (0.49) HTTKMT2APOLBALDH1A1MEN1
SCHEMBL5370251 0.84 HTT (0.49) HTTARKDM1ASLC22A12MMP2
SCHEMBL29071906 0.84 HTT (0.77) HTTKMT2APOLBALDH1A1MEN1
SCHEMBL6469331 0.83 HTT (0.44) HTTKDM1A
SCHEMBL29071892 0.81 HTT (0.73) HTTKMT2APOLBALDH1A1MEN1
SCHEMBL9805097 0.81 HTT (1.00) HTTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL6464844 0.80 HTT (0.53) HTTKMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL6465908 0.76 ALDH1A1 (0.71) HTTKMT2APOLBALDH1A1MEN1
SCHEMBL6469620 0.72 CYP11B2 (0.42) ALDH1A1ARKDM1ASLC22A12MMP3
SCHEMBL23147421 0.72 HTT (0.59) HTTKMT2APOLBALDH1A1MEN1

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-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
EP-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP 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 HTT 3428/4885KMT2A 2015/4885POLB 3507/4885

“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.