SCHEMBL7053844

SCHEMBL7053844

CNC(=O)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.73
AKR1C3 P42330 1/20 0.66
NPC1 O15118 4/20 0.63
PKM P14618 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
HPGD P15428 1/20 0.59
TSHR P16473 1/20 0.59
HTT P42858 1/20 0.59
KAT6A Q92794 1/20 0.58
F2 P00734 1/20 0.58
F10 P00742 1/20 0.58
ERCC5 P28715 1/20 0.58
FEN1 P39748 1/20 0.58
RAB9A P51151 3/20 0.57
HDAC6 Q9UBN7 1/20 0.56
GCK P35557 1/20 0.56
PGR P06401 1/20 0.55
MEN1 O00255 1/20 0.55

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
SCHEMBL257694 0.89 MMP13 (0.71) HDAC8AKR1C3NPC1SMN1; SMN2HPGD
SCHEMBL30147470 0.87 GCK (0.59) HDAC8AKR1C3NPC1SMN1; SMN2HPGD
SCHEMBL9005661 0.87 AKR1C3 (0.68) HDAC8AKR1C3NPC1PKMSMN1; SMN2
SCHEMBL177761 0.87 HDAC8 (0.57) HDAC8AKR1C3NPC1SMN1; SMN2ALDH1A1
SCHEMBL30147517 0.85 NPC1 (0.60) HDAC8AKR1C3NPC1SMN1; SMN2ALDH1A1
SCHEMBL6671653 0.84 HDAC8 (1.00) HDAC8AKR1C3NPC1PKMSMN1; SMN2
SCHEMBL6252549 0.84 HPGD (0.85) SMN1; SMN2HPGDTSHRHTTERCC5
SCHEMBL15315479 0.84 HPSE (0.56) HDAC8AKR1C3SMN1; SMN2HPGDTSHR
SCHEMBL8248607 0.83 ALDH1A1 (0.72) HDAC8AKR1C3NPC1PKMSMN1; SMN2
SCHEMBL24074782 0.83 HDAC8 (0.51) HDAC8AKR1C3NPC1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301527-A2 PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS CORVAS INTERNATIONAL, INC. (US) 2003-04-16 EP claimed
US-20020068702-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus DENDREON PHARMACEUTICALS, INC. 2002-06-06 US claimed
WO-2002008251-A2 PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS CORVAS INTERNATIONAL, INC. (US) 2002-01-31 WO claimed
WO-2024086767-A2 GLYCAN CONJUGATE COMPOSITIONS AND METHODS GANNA BIO, INC. (US) 2024-04-25 WO disclosed
US-20230295136-A1 Analogs of Nitrofuran Antibiotics to Combat Resistance ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2023-09-21 US disclosed
CN-115551864-A Substituted tricyclic amides, analogs thereof, and methods of using the same 爱彼特生物制药公司 2022-12-30 CN disclosed
EP-3508484-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-04-07 EP disclosed
WO-2020227168-A1 INHIBITING TRABID INTEGRAL EARLY DISCOVERY, INC. (US) 2020-11-12 WO disclosed
WO-2019154306-A1 SACCHARIDE DERIVATIVES FOR IMMUNE CELL SURFACE MODIFICATION AND USE THEREOF 厦门诺康得生物科技有限公司 2019-08-15 WO disclosed
EP-3184514-A1 AUTOPHAGY INHIBITORS Deutsches Krebsforschungszentrum (DE) 2017-06-28 EP disclosed
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE GAUDINO JOHN 2011-03-03 US disclosed
US-7504431-B2 Sulfonyl amide inhibitors of calcium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-17 US disclosed
WO-2009033084-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-03-12 WO disclosed
WO-2007103308-A2 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-09-13 WO disclosed
US-20050245535-A1 Sulfonyl amide inhibitors of calcium channel function BRISTOL- MYERS SQUIBB COMPANY 2005-11-03 US disclosed
EP-1301527-A2 PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS CORVAS INTERNATIONAL, INC. (US) 2003-04-16 EP disclosed
US-20020068702-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus DENDREON PHARMACEUTICALS, INC. 2002-06-06 US disclosed
WO-2002008251-A2 PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS CORVAS INTERNATIONAL, INC. (US) 2002-01-31 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 (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-20050245535-A1 Sulfonyl amide inhibitors of calcium channel function CACNA1F, CACNA1A, CACNA1D HDAC8 1463/4885AKR1C3 2084/4885NPC1 941/4885
US-20020068702-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus VIP, TMPRSS15, TMPRSS11D HDAC8 3934/4885AKR1C3 2189/4885NPC1 1789/4885
US-20230295136-A1 Analogs of Nitrofuran Antibiotics to Combat Resistance ATF4, ATF1, FBL HDAC8 589/4885AKR1C3 3736/4885NPC1 1389/4885
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE TK1, ABL1, ROR1 HDAC8 3228/4885AKR1C3 731/4885NPC1 1274/4885

“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.