SCHEMBL1278017

SCHEMBL1278017

O=C(O)C[C@H]1CSC(c2cc3cccc(NCC4CCOCC4)c3[nH]2)=N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 1/20 0.36
TTK P33981 8/20 0.36
CSF1R P07333 1/20 0.36
RIPK2 O43353 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
VNN1 O95497 1/20 0.34
CREBBP Q92793 1/20 0.33
CCNK O75909 1/20 0.33
CDK9 P50750 1/20 0.33
GABRA1 P14867 3/20 0.33
GABRR1 P24046 3/20 0.33
GABRA5 P31644 3/20 0.33
GABRB2 P47870 3/20 0.33
GABRA4 P48169 3/20 0.33
SLC6A12 P48065 1/20 0.33
SLC6A13 Q9NSD5 1/20 0.33
GRM4 Q14833 1/20 0.33
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32

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
SCHEMBL1278019 1.00 KCNH3 (0.36) KCNH3TTKCSF1RRIPK2CNR1
SCHEMBL3031808 0.91 RIPK2 (0.35) KCNH3TTKCSF1RRIPK2CNR1
SCHEMBL3031811 0.91 RIPK2 (0.35) KCNH3TTKCSF1RRIPK2CNR1
SCHEMBL3024058 0.89 RIPK1 (0.35) TTKRIPK2CNR1CNR2CREBBP
SCHEMBL3024062 0.89 RIPK1 (0.35) TTKRIPK2CNR1CNR2CREBBP
SCHEMBL1277725 0.88 BRD4 (0.37) CSF1RGABRA1GABRR1GABRA5GABRB2
SCHEMBL1277730 0.88 BRD4 (0.37) CSF1RGABRA1GABRR1GABRA5GABRB2
SCHEMBL1278198 0.88 BRD4 (0.37) CSF1RGABRA1GABRR1GABRA5GABRB2
SCHEMBL3029304 0.86 CSF1R (0.33) KCNH3CSF1RCNR2CCNKCDK9
SCHEMBL3029306 0.86 CSF1R (0.33) KCNH3CSF1RCNR2CCNKCDK9

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349885-B2 Indole and indazole derivatives having a cell-, tissue- and organ-preserving effect LG LIFE SCIENCES LTD. (KR) 2013-01-08 US claimed
US-20120270203-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG CHEM, LTD. (KR) 2012-10-25 US claimed
CN-101952281-A Indole and indazole derivatives having a cell-, tissue- and organ-preserving effect LG LIFE SCIENCES LTD 2011-01-19 CN claimed
US-20100267708-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG LIFE SCIENCES LTD. (KR) 2010-10-21 US claimed
EP-2220081-A2 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG Life Sciences Ltd. (KR) 2010-08-25 EP claimed
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2010-08-19 US claimed
EP-2178869-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG Life Sciences Ltd. (KR) 2010-04-28 EP claimed
WO-2009082152-A2 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG LIFE SCIENCES LTD. (KR) 2009-07-02 WO claimed
WO-2009025477-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2009-02-26 WO claimed
US-10322135-B2 Pharmaceutical composition comprising indole compound LG CHEM, LTD. (KR) 2019-06-18 US disclosed
US-20170165272-A1 PHARMACEUTICAL COMPOSITION COMPRISING INDOLE COMPOUND LG LIFE SCIENCES LTD. (KR) 2017-06-15 US disclosed
US-8889691-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2014-11-18 US disclosed
US-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2014-01-23 US disclosed
EP-2230238-B1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG LIFE SCIENCES LTD (KR) 2013-12-11 EP disclosed
EP-2230238-A2 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG Life Sciences Ltd. (KR) 2010-09-22 EP disclosed
EP-2220081-A2 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG Life Sciences Ltd. (KR) 2010-08-25 EP 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-2009082152-A2 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG LIFE SCIENCES LTD. (KR) 2009-07-02 WO 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 (6 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-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF KCNH3 4080/4885TTK 2418/4885CSF1R 3409/4885
US-20120270203-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT IDO1, IDO2, INMT KCNH3 482/4885TTK 2085/4885CSF1R 2444/4885
US-10322135-B2 Pharmaceutical composition comprising indole compound IDO1, IDO2, AIFM1 KCNH3 2645/4885TTK 4604/4885CSF1R 4062/4885
US-20170165272-A1 PHARMACEUTICAL COMPOSITION COMPRISING INDOLE COMPOUND TFAM, IDO1, AIFM1 KCNH3 2927/4885TTK 4495/4885CSF1R 3978/4885
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF KCNH3 4080/4885TTK 2418/4885CSF1R 3409/4885
US-20100267708-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT GCK, GCKR, HK1 KCNH3 936/4885TTK 815/4885CSF1R 3274/4885

“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.