SCHEMBL3704664

SCHEMBL3704664

COc1ccc(C)c(NC(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.61
MAPK1 P28482 1/20 0.61
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
P2RX7 Q99572 1/20 0.55
MAPT P10636 4/20 0.54
HTT P42858 2/20 0.54
F10 P00742 1/20 0.51
PKM P14618 1/20 0.50
LMNA P02545 1/20 0.50
S1PR4 O95977 1/20 0.49
AKR1C3 P42330 5/20 0.49
AKR1C2 P52895 5/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TP53 P04637 1/20 0.49
ALDH1A1 P00352 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL359701 0.87 MAPT (0.56) GAAMAPK1KMT2AMEN1P2RX7
SCHEMBL6117229 0.85 RAB9A (0.61) GAAKMT2AMEN1MAPTF10
SCHEMBL1520202 0.84 F10 (0.63) GAAMAPK1KMT2AMEN1MAPT
SCHEMBL6005341 0.84 GAA (0.69) GAAMAPK1KMT2AMEN1MAPT
SCHEMBL4013508 0.83 GAA (0.56) GAAMAPK1KMT2AMEN1P2RX7
SCHEMBL7978840 0.82 KMT2A (0.49) GAAMAPK1KMT2AMEN1MAPT
SCHEMBL1703738 0.82 RAB9A (0.51) GAAMAPK1KMT2AMEN1MAPT
SCHEMBL27839544 0.82 TDP1 (0.61) GAAKMT2AMEN1P2RX7MAPT
SCHEMBL21894736 0.82 TGM2 (0.59) GAAMAPK1KMT2AMEN1P2RX7
SCHEMBL7930528 0.82 P2RX7 (0.59) GAAMAPK1KMT2AMEN1P2RX7

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
WO-2016134145-A9 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-02-16 WO disclosed
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
US-8815903-B2 Indole derivative and pharmacologically acceptable salt thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-08-26 US disclosed
EP-2669272-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT OF SAME Kissei Pharmaceutical Co., Ltd. (JP) 2013-12-04 EP disclosed
US-20130317065-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL COMPANY, LIMITED (JP) 2013-11-28 US disclosed
EP-2474530-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-07-11 EP disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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 (2 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R GAA 4525/4885MAPK1 855/4885KMT2A 2056/4885
US-20130317065-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R GAA 4780/4885MAPK1 660/4885KMT2A 1898/4885

“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.