SCHEMBL4185796

SCHEMBL4185796

COc1ccc2[nH]cc(CCNC(=O)NC3CCc4cc(C(=O)Nc5ccccc5N)ccc43)c2c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
MTNR1A P48039 4/20 0.51
TRPV1 Q8NER1 4/20 0.51
NAMPT P43490 1/20 0.51
MTNR1B P49286 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 2/20 0.49
ACHE P22303 2/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
FAAH O00519 2/20 0.49
TP53 P04637 1/20 0.48

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
SCHEMBL4192751 0.94 MEN1 (0.52) POLBKMT2AMEN1MTNR1ATRPV1
SCHEMBL4187107 0.91 TRPV1 (0.50) POLBKMT2AMEN1MTNR1ATRPV1
SCHEMBL4186899 0.90 HDAC1 (0.56) KMT2AMEN1NAMPTALDH1A1MAPT
SCHEMBL4183434 0.86 HDAC1 (0.47) POLBKMT2AMEN1TRPV1ALDH1A1
SCHEMBL4183294 0.85 ACHE (0.48) POLBKMT2AMEN1MTNR1ATRPV1
SCHEMBL4195363 0.85 HDAC1 (0.52) TRPV1MAPTSMN1; SMN2
SCHEMBL4192122 0.85 HDAC1 (0.47) KMT2AMEN1TRPV1NAMPTMAPT
SCHEMBL13653271 0.84 ABCB1 (0.47) KMT2AMEN1TRPV1ALDH1A1MAPT
SCHEMBL4188501 0.84 HDAC1 (0.50) POLBKMT2AMEN1NAMPTALDH1A1
SCHEMBL4186856 0.82 HDAC1 (0.44) TRPV1NAMPTPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247590-A1 Indane amides BAYER PHARMACEUTICLAS CORPORATION (US) 2009-10-01 US disclosed
US-20090247590-A1 Indane amides BAYER PHARMACEUTICLAS CORPORATION (US) 2009-10-01 US disclosed
US-20090247590-A1 Indane amides BAYER PHARMACEUTICLAS CORPORATION (US) 2009-10-01 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-20090247590-A1 Indane amides MKI67, PPIP5K2, CCNA1 POLB 1020/4885KMT2A 1662/4885MEN1 612/4885

“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.