SCHEMBL1966802

SCHEMBL1966802

COC(=O)c1ccc(-c2ccc(F)cc2)nc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.67
RXFP1 Q9HBX9 2/20 0.67
PTPN1 P18031 1/20 0.58
PTPN6 P29350 1/20 0.58
PTPN11 Q06124 1/20 0.58
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
MAPK1 P28482 3/20 0.54
KDM4E B2RXH2 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GABRA5 P31644 4/20 0.51
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
HPGDS O60760 1/20 0.49

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
SCHEMBL29598250 0.90 MAPK1 (0.61) NPC1RXFP1RAB9ASMN1; SMN2MAPK1
SCHEMBL21033709 0.86 TDP1 (0.59) NPC1RXFP1RAB9ASMN1; SMN2MAPK1
SCHEMBL24975198 0.84 TP53 (0.56) NPC1RXFP1RAB9ASMN1; SMN2MAPK1
SCHEMBL29854270 0.84 MAPK1 (0.54) NPC1RXFP1RAB9ASMN1; SMN2MAPK1
SCHEMBL4412321 0.84 MAPT (0.55) NPC1RXFP1RAB9ASMN1; SMN2MAPK1
SCHEMBL24975195 0.84 MAPK1 (0.54) NPC1RXFP1RAB9ASMN1; SMN2MAPK1
SCHEMBL6714830 0.84 RXFP1 (0.75) NPC1RXFP1RAB9ASMN1; SMN2MAPK1
SCHEMBL2715851 0.84 LDHA (0.67) NPC1RXFP1RAB9AMAPK1KDM4E
SCHEMBL2010059 0.84 NPC1 (0.61) NPC1RXFP1PTPN1PTPN6PTPN11
SCHEMBL2267893 0.84 LMNA (0.53) NPC1RXFP1PTPN1PTPN6PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112048734-B Regioselective electrochemical synthesis method of nitrogen-containing aromatic heterocyclic carboxylic ester 四川大学 2022-06-10 CN disclosed
US-9340493-B2 Hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2016-05-17 US disclosed
US-9340493-B2 Hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2016-05-17 US disclosed
US-9340493-B2 Hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2016-05-17 US disclosed
US-20140206651-A1 Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-07-24 US disclosed
US-20140206651-A1 Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-07-24 US disclosed
US-20140206651-A1 Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-07-24 US disclosed
US-8722686-B2 Hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-05-13 US disclosed
US-8722686-B2 Hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-05-13 US disclosed
US-8722686-B2 Hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-05-13 US disclosed
EP-1436249-A2 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2004-07-14 EP disclosed
US-6720338-B2 BCL-X1 INHIBITING COMPOSITIONS AND METHODS OF PROMOTING APOPTOSIS IN A MAMMAL ABBOTT LABORATORIES 2004-04-13 US disclosed
US-20040006141-A1 Amidocarboxylic acid compounds SANKYO COMPANY, LTD (JP) 2004-01-08 US disclosed
EP-1318978-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2003-06-18 EP disclosed
WO-2003027061-A2 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2003-04-03 WO disclosed
US-6528525-B1 Amidocarboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-03-04 US disclosed
US-20020086887-A1 N-Acylsulfonamide apoptosis promoters ABBVIE INC. 2002-07-04 US disclosed
US-20020055631-A1 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES 2002-05-09 US disclosed
WO-2002024636-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2002-03-28 WO disclosed
EP-1026149-A1 AMIDOCARBOXYLIC ACID DERIVATIVES Sankyo Company Limited (JP) 2000-08-09 EP 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-20020086887-A1 N-Acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 NPC1 2540/4885RXFP1 4354/4885PTPN1 2196/4885
US-20140206651-A1 Hydroxamic Acid Derivatives Useful As Antibacterial Agents HCAR1, H1-0, HDAC1 NPC1 2441/4885RXFP1 412/4885PTPN1 3205/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 NPC1 2435/4885RXFP1 4582/4885PTPN1 2547/4885
US-20040006141-A1 Amidocarboxylic acid compounds NR1H2, AGK, APOL1 NPC1 812/4885RXFP1 779/4885PTPN1 610/4885

“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.