SCHEMBL9108936

SCHEMBL9108936

CC(=O)Nc1cc(-c2cc(C(=O)NCc3ccco3)c(-c3ccccc3Cl)o2)c(C)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 6/20 0.47
HSD17B10 Q99714 4/20 0.47
POLB P06746 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
MEN1 O00255 2/20 0.47
ALOX15 P16050 2/20 0.47
RECQL P46063 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
APEX1 P27695 1/20 0.47
BCL2L1 Q07817 1/20 0.47
MCL1 Q07820 1/20 0.47
HPGD P15428 5/20 0.44
GAA P10253 2/20 0.42
PKM P14618 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL9107516 0.88 MAPT (0.43) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL9106554 0.88 HPGD (0.42) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL9108275 0.86 PIK3C3 (0.42) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL9110058 0.86 HPGD (0.50) ALDH1A1KDM4EHSD17B10POLBKMT2A
SCHEMBL9109120 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTHSD17B10MEN1
SCHEMBL9110460 0.85 KMT2A (0.47) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL9890577 0.85 MAPT (0.46) ALDH1A1KDM4EMAPTHSD17B10POLB
SCHEMBL9106623 0.84 KMT2A (0.39) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL9890501 0.84 KMT2A (0.39) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL9109287 0.84 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTHSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
WO-2012021615-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-16 WO 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-20120142732-A1 HETEROARYLS AND USES THEREOF PIK3R4, PIK3C2B, PIK3R1 ALDH1A1 1905/4885KDM4E 2506/4885MAPT 4237/4885

“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.