SCHEMBL3031102

SCHEMBL3031102

CCOC(=O)c1csc(-c2cc3cc(C)cc([N+](=O)[O-])c3[nH]2)n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.53
GAA P10253 2/20 0.53
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 5/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CLK1 P49759 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP19A1 P11511 1/20 0.38
XDH P47989 1/20 0.37
CCR3 P51677 1/20 0.36
HSP90AA1 P07900 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
SCHEMBL3725762 0.90 XDH (0.44) RAB9AGAAMAPTNPC1KMT2A
SCHEMBL27809827 0.86 ALDH1A1 (0.43) RAB9AGAAALDH1A1XDH
SCHEMBL27964610 0.80 GRIN2D (0.38) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL27809770 0.79 XDH (0.36) RAB9AMAPTNPC1KMT2AMEN1
SCHEMBL27809771 0.79 KDM4E (0.40) GAAMAPTALDH1A1KMT2AMEN1
SCHEMBL27679522 0.78 RAB9A (0.63) RAB9AGAAMAPTALDH1A1NPC1
SCHEMBL1277858 0.77 RAB9A (0.52) RAB9AGAAMAPTALDH1A1NPC1
SCHEMBL3033938 0.76 SMN1; SMN2 (0.45) RAB9AGAAMAPTALDH1A1NPC1
SCHEMBL3025131 0.75 MAOA (0.46) RAB9AGAAMAPTALDH1A1NPC1
SCHEMBL16691170 0.74 RAB9A (0.60) RAB9AGAAMAPTALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889691-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2014-11-18 US disclosed
CN-101801965-B Indole compounds as inhibitors of cellular necrosis LG LIFE SCIENCES LTD 2014-07-30 CN disclosed
US-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2014-01-23 US disclosed
US-8569307-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2013-10-29 US disclosed
EP-2178869-B1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD (KR) 2013-06-12 EP disclosed
US-20120252798-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG CHEM, LTD. (KR) 2012-10-04 US disclosed
US-8222414-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2012-07-17 US disclosed
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2010-08-19 US disclosed
EP-2178869-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG Life Sciences Ltd. (KR) 2010-04-28 EP disclosed
WO-2009025477-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2009-02-26 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 (3 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-20120252798-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF RAB9A 3354/4885GAA 791/4885MAPT 1935/4885
US-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF RAB9A 3354/4885GAA 791/4885MAPT 1935/4885
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF RAB9A 3354/4885GAA 791/4885MAPT 1935/4885

“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.