SCHEMBL2731044

SCHEMBL2731044

COC(=O)c1cc2cc(F)ccc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.66
ALDH1A1 P00352 3/20 0.66
HPGD P15428 2/20 0.66
HSD17B10 Q99714 2/20 0.66
PDPK1 O15530 1/20 0.66
LMNA P02545 1/20 0.66
TSHR P16473 1/20 0.66
NFKB1 P19838 1/20 0.66
APEX1 P27695 1/20 0.66
CYP2C19 P33261 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
FLT3 P36888 6/20 0.65
XDH P47989 2/20 0.59
MLLT1 Q03111 1/20 0.55
HRH4 Q9H3N8 1/20 0.55
RXFP1 Q9HBX9 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
ATM Q13315 1/20 0.51

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
SCHEMBL30071296 0.88 XDH (0.54) KDM4EALDH1A1HPGDHSD17B10PDPK1
SCHEMBL20494600 0.88 XDH (0.54) KDM4EALDH1A1HPGDHSD17B10PDPK1
SCHEMBL30220514 0.87 FLT3 (0.60) KDM4EALDH1A1HPGDHSD17B10PDPK1
SCHEMBL926230 0.87 FLT3 (0.60) KDM4EALDH1A1HPGDHSD17B10PDPK1
SCHEMBL24196808 0.83 FLT3 (0.60) KDM4EALDH1A1HPGDHSD17B10PDPK1
SCHEMBL26213275 0.83 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10PDPK1
SCHEMBL830789 0.83 KDM4E (0.74) KDM4EALDH1A1HPGDHSD17B10PDPK1
SCHEMBL31058816 0.83 KDM4E (0.74) KDM4EALDH1A1HPGDHSD17B10PDPK1
SCHEMBL31207830 0.82 FLT3 (0.67) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL31310313 0.82 RAB9A (0.72) KDM4EALDH1A1HPGDHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635567-B1 INDOLE DERIVATIVES RICHTER GEDEON NYRT (HU) 2015-10-28 EP disclosed
EP-1451185-B1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2014-08-06 EP disclosed
EP-2635567-A1 INDOLE DERIVATIVES Richter Gedeon Nyrt. (HU) 2013-09-11 EP disclosed
US-20130217702-A1 INDOLE DERIVATIVES RICHTER GEDEON NYRT. 2013-08-22 US disclosed
WO-2012059776-A1 INDOLE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2012-05-10 WO disclosed
US-8088768-B2 Protein kinase and phosphatase inhibitors THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 2012-01-03 US disclosed
US-8088768-B2 Protein kinase and phosphatase inhibitors THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 2012-01-03 US disclosed
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2011-06-09 US disclosed
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2011-06-09 US disclosed
US-20110028474-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-02-03 US disclosed
US-20050043302-A1 New indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-24 US disclosed
EP-1451185-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2004-09-01 EP disclosed
US-20030199689-A1 New indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-23 US disclosed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 WO disclosed
US-6337344-B1 ANTICOAGULANTS AND ENZYME INHIBITORS FOR CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-01-08 US disclosed
CN-1283186-A Indole derivatives as XA factor inhibitors AWENTIS MEDICINES DEUTSCHLAND (DE) 2001-02-07 CN disclosed
EP-1042287-A1 INDOLE DERIVATIVES AS INHIBITORS OF FACTOR XA Aventis Pharma Deutschland GmbH (DE) 2000-10-11 EP disclosed
WO-1999033800-A1 INDOLE DERIVATIVES AS INHIBITORS OR FACTOR XA AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-07-08 WO disclosed
US-5852046-A Benzo-fused heterocyclic compounds having a 5-membered ring processes for their preparation their use as medicaments their use as diagnostic agents and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1998-12-22 US disclosed
US-4137313-A ANTICOAGULANTS, ANTIPHLOGISTIC AGENTS BOEHRINGER INGELHEIM GMBH (DE) 1979-01-30 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 (5 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-20110028474-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS PTPN5, PTPN2, PTPN4 KDM4E 1123/4885ALDH1A1 4474/4885HPGD 3831/4885
US-20130217702-A1 INDOLE DERIVATIVES BDKRB1, BDKRB2, ARRB1 KDM4E 3663/4885ALDH1A1 1752/4885HPGD 274/4885
US-20030199689-A1 New indole derivatives as factor Xa inhibitors F5, F12, F2 KDM4E 1206/4885ALDH1A1 1886/4885HPGD 1381/4885
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade MAP3K20, MAP3K6, MAP3K2 KDM4E 2169/4885ALDH1A1 4720/4885HPGD 3268/4885
US-20050043302-A1 New indole derivatives as factor Xa inhibitors F12, F5, F2 KDM4E 1584/4885ALDH1A1 1808/4885HPGD 1431/4885

“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.