SCHEMBL1395368

SCHEMBL1395368

Oc1ccccc1-c1nc[nH]n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.48
ADORA2A P29274 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
DCUN1D1 Q96GG9 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
BCL2L1 Q07817 1/20 0.40
HSD17B10 Q99714 1/20 0.40
QPCT Q16769 1/20 0.40
QPCTL Q9NXS2 1/20 0.40
KMT2A Q03164 3/20 0.40
TSHR P16473 2/20 0.40
MAPT P10636 2/20 0.40
ALOX15 P16050 2/20 0.40
MEN1 O00255 2/20 0.40

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
SCHEMBL14889280 0.78 ESR1 (0.42) ALDH1A1HPGDKMT2AMAPTMEN1
SCHEMBL2099637 0.78 IDO1 (0.48) IDO1SMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL1528053 0.76 LDHA (0.52) IDO1SMN1; SMN2DCUN1D1MAPK1ALDH1A1
SCHEMBL15125436 0.76 GAA (0.52) IDO1SMN1; SMN2DCUN1D1CASP3SENP8
SCHEMBL16112339 0.76 PBRM1 (0.52) IDO1SMN1; SMN2DCUN1D1MAPK1ALDH1A1
SCHEMBL10801976 0.76 DCUN1D1 (0.43) IDO1SMN1; SMN2DCUN1D1MAPK1ALDH1A1
SCHEMBL9173243 0.76 IDO1 (0.47) IDO1SMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL11686059 0.76 IDO1 (0.52) IDO1SMN1; SMN2DCUN1D1ALDH1A1HPGD
SCHEMBL6450194 0.74 IDO1 (0.54) IDO1SMN1; SMN2MAPK1HPGDKMT2A
SCHEMBL6454308 0.74 IDO1 (0.57) IDO1SMN1; SMN2CASP3SENP8SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538898-A1 PROTHROMBIN TIME REAGENT COMPRISING AN IRON CHELATOR Siemens Healthcare Diagnostics Products GmbH (DE) 2019-09-18 EP claimed
CN-108727287-B 1,2, 4-triazole compound and salt and application thereof 东南大学 2020-10-27 CN disclosed
EP-2078009-B1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 SANOFI SA (FR) 2015-03-18 EP disclosed
EP-2313412-B1 NOVEL DERIVATIVES OF PYRROLOINDOLE INHIBITORS OF HSP90, COMPOSITIONS CONTAINING SAME, AND USE THEREOF SANOFI SA (FR) 2013-01-02 EP disclosed
US-8309721-B2 HSP90 inhibitory carbazole derivatives, compositions containing same and use thereof SANOFI (FR) 2012-11-13 US disclosed
US-8178687-B2 Derivatives of pyrroloindole which are inhibitors of Hsp90, compositions containing same, and use thereof SANOFI-AVENTIS (FR) 2012-05-15 US disclosed
CN-102439003-A Indazole derivatives inhibiting HSP90, compositions containing said derivatives and uses thereof SANOFI AVENTIS 2012-05-02 CN disclosed
US-8163750-B2 Fluorene derivatives, compositions containing the same and use thereof as inhibitors of the protein chaperone HSP 90 SANOFI-AVENTIS (FR) 2012-04-24 US disclosed
US-20120010241-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI (FR) 2012-01-12 US disclosed
US-20110184015-A1 NOVEL DERIVATIVES OF PYRROLOINDOLE WHICH ARE INHIBITORS OF HSP90, COMPOSITIONS CONTAINING SAME, AND USE THEREOF SANOFI-AVENTIS (FR) 2011-07-28 US disclosed
CN-102026992-A Novel HSP90 inhibitory carbazole derivatives, compositions containing the same and uses thereof SANOFI AVENTIS 2011-04-20 CN disclosed
WO-2011027081-A2 NOVEL DERIVATIVES OF 5,6,7,8-TETRAHYDROINDOLIZINE INHIBITING HSP90, COMPOSITIONS CONTAINING SAME, AND USE THEREOF SANOFI-AVENTIS (FR) 2011-03-10 WO disclosed
EP-2265598-A2 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME, AND USE THEREOF Sanofi-Aventis (FR) 2010-12-29 EP disclosed
US-20100130503-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 SANOFI-AVENTIS (FR) 2010-05-27 US disclosed
WO-2009122034-A2 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME, AND USE THEREOF SANOFI-AVENTIS (FR) 2009-10-08 WO disclosed
CN-101528735-A Novel fluorene derivatives, compositions containing them and use as chaperone protein HSP90 inhibitors SANOFI AVENTIS (FR) 2009-09-09 CN disclosed
EP-2078009-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 Sanofi-Aventis (FR) 2009-07-15 EP disclosed
WO-2009004146-A2 NOVEL HERBIMYCIN A ANALOGUE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI-AVENTIS (FR) 2009-01-08 WO disclosed
WO-2008049994-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 SANOFI-AVENTIS (FR) 2008-05-02 WO disclosed
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 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 (4 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-20120010241-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF HSP90AB2P, HSP90AB1, HSP90AA1 IDO1 1789/4885ADORA2A 2681/4885SMN1; SMN2 3164/4885
US-20110184015-A1 NOVEL DERIVATIVES OF PYRROLOINDOLE WHICH ARE INHIBITORS OF HSP90, COMPOSITIONS CONTAINING SAME, AND USE THEREOF HSP90AB1, HSP90AB2P, HSP90AA1 IDO1 2273/4885ADORA2A 3659/4885SMN1; SMN2 3622/4885
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC IDO1 2394/4885ADORA2A 1442/4885SMN1; SMN2 4633/4885
US-20100130503-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 HSP90AB2P, HSPA2, HSP90AB1 IDO1 4758/4885ADORA2A 3671/4885SMN1; SMN2 2453/4885

“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.