SCHEMBL624719

SCHEMBL624719

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
SORT1 Q99523 3/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NSD2 O96028 1/20 0.36
ABL1 P00519 1/20 0.36
CRBN Q96SW2 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35

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
SCHEMBL624291 0.89 NNMT (0.40) PIK3C3L3MBTL1HSD17B10ABL1CRBN
SCHEMBL624919 0.86 PIK3C3 (0.38) PIK3C3L3MBTL1POLBMAPTHPGD
SCHEMBL626818 0.80 ABL1 (0.35) PIK3C3L3MBTL1ABL1CRBNPTK2
SCHEMBL9108874 0.78 PIK3C3 (0.46) PIK3C3MAPTNSD2ABL1PTK2
SCHEMBL20605223 0.72 GABRP (0.54) PIK3C3L3MBTL1SORT1HSD17B10NSD2
SCHEMBL626417 0.72 PIK3C3 (0.39) PIK3C3L3MBTL1NSD2ABL1CRBN
SCHEMBL9890033 0.72 PIK3C3 (0.44) PIK3C3MAPTABL1PTK2KMT2A
SCHEMBL29424942 0.71 L3MBTL1 (0.50) L3MBTL1SORT1TSHRHSD17B10NSD2
SCHEMBL27794571 0.71 L3MBTL1 (0.50) L3MBTL1SORT1TSHRHSD17B10NSD2
SCHEMBL624251 0.71 L3MBTL1 (0.53) PIK3C3L3MBTL1ABL1CRBNPTK2

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
EP-2603216-A1 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2013-06-19 EP 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
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 PIK3C3 52/4885L3MBTL1 580/4885SORT1 862/4885

“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.