SCHEMBL1395370

SCHEMBL1395370

Oc1ccc(-c2nc[nH]n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.50
KMT2A Q03164 8/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 4/20 0.50
MAPT P10636 3/20 0.50
USP2 O75604 1/20 0.50
TP53 P04637 1/20 0.50
PKM P14618 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
NTSR1 P30989 1/20 0.38
ATM Q13315 1/20 0.38
TYMP P19971 1/20 0.37
BCHE P06276 1/20 0.36
PDPK1 O15530 1/20 0.36
HSP90AB1 P08238 1/20 0.36

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
SCHEMBL26110328 0.89 ADH5 (0.37) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL17303461 0.79 RXFP1 (0.40) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1230218 0.78 METAP2 (0.44) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1653225 0.78 SMN1; SMN2 (0.39) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1825663 0.78 NPC1 (0.48) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL444271 0.78 RPA1 (0.48) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL2968301 0.78 ATM (0.48) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4224606 0.78 KDM4E (0.47) NPC1RAB9ATP53BCL2L1
SCHEMBL1115394 0.78 S1PR1 (0.38)
SCHEMBL2655553 0.77 NPC1 (0.46) NPC1RAB9AMAPTNFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112198309-A Chemiluminescence substrate detection kit with high sensitivity and stable signal 上海雅酶生物医药科技有限公司 2021-01-08 CN disclosed
CN-105062502-B Liquid-crystal compounds and its preparation method and use containing penta azacyclo 华南师范大学 2017-08-25 CN disclosed
CN-105062502-A Liquid crystal compound containing five membered nitrogen-containing heterocycles, as well as synthesizing method and application thereof UNIV SOUTH CHINA NORMAL 2015-11-18 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
CN-102435598-B Stable HRP enzymatic enhanced chemiluminescent substrate solution BIOBASE BIODUSTRY SHANDONG CO 2013-07-10 CN 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
CN-102435598-A Stable HRP enzymatic enhanced chemiluminescent substrate solution BIOBASE BIODUSTRY SHANDONG CO 2012-05-02 CN 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
EP-1654254-A4 ANTIFUNGAL AZOLE DERIVATIVES HAVING A FLUOROVINYL MOIETY AND PROCESS FOR THE PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2008-12-31 EP 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-20080027117-A1 Antifungal Azole Derivatives Having a Fluorovinyl Moiety and Process for the Preparation Thereof KOREA RESERACH INSTIITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-01-31 US disclosed
EP-1654254-A1 ANTIFUNGAL AZOLE DERIVATIVES HAVING A FLUOROVINYL MOIETY AND PROCESS FOR THE PREPARATION THEREOF Korea Research Institute of Chemical Technology (KR) 2006-05-10 EP disclosed
WO-2005014583-A1 ANTIFUNGAL AZOLE DERIVATIVES HAVING A FLUOROVINYL MOIETY AND PROCESS FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2005-02-17 WO disclosed
EP-1183239-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2002-03-06 EP disclosed
WO-2000069821-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-11-23 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 (1 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-20080027117-A1 Antifungal Azole Derivatives Having a Fluorovinyl Moiety and Process for the Preparation Thereof ERG28, CYP51A1, CYP4F8 MEN1 140/4885KMT2A 700/4885NPC1 198/4885

“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.