SCHEMBL259430

SCHEMBL259430

COc1ccc(C(=O)Nc2cccc(C)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 1.00
RAB9A P51151 9/20 1.00
SMN1; SMN2 Q16637 7/20 1.00
TP53 P04637 5/20 1.00
NFKB1 P19838 1/20 1.00
NFKB2 Q00653 1/20 1.00
RELA Q04206 1/20 1.00
KCNK3 O14649 5/20 0.86
KMT2A Q03164 6/20 0.78
ALDH1A1 P00352 3/20 0.78
PKM P14618 1/20 0.78
KCNK9 Q9NPC2 5/20 0.76
ADORA3 P0DMS8 1/20 0.70
MEN1 O00255 5/20 0.67
RXFP1 Q9HBX9 1/20 0.67
ALOX15 P16050 1/20 0.66
CYP1A2 P05177 2/20 0.65
CYP3A4 P08684 2/20 0.65
CYP2C9 P11712 2/20 0.65
CYP2C19 P33261 2/20 0.65

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
SCHEMBL12228183 0.91 NPC1 (0.83) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL4256368 0.88 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL13838763 0.87 KCNK3 (0.92) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL4608617 0.86 SMN1; SMN2 (0.76) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL259706 0.85 MEN1 (0.77) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL14632524 0.85 NPC1 (0.74) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL4252397 0.85 NPC1 (0.83) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL31179863 0.85 NPC1 (0.83) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL31542000 0.85 KCNK9 (0.81) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL4248125 0.85 KCNK3 (0.82) NPC1RAB9ASMN1; SMN2TP53NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11312668-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose ABBVIE INC. (US) 2022-04-26 US disclosed
US-11312668-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose ABBVIE INC. (US) 2022-04-26 US disclosed
US-20220017762-A1 INK JET INK FOR FORMING AN INFRARED ABSORBING IMAGE, INFRARED ABSORBING IMAGE FORMING METHOD, AND RECORDED MATERIAL FUJIFILM CORPORATION (JP) 2022-01-20 US disclosed
EP-3246353-B1 USE OF SURFACTANTS TO EXTRACT A PLATINUM GROUP METAL OR GOLD FROM ORGANIC COMPOSITIONS CENTRE NAT RECH SCIENT (FR) 2021-03-17 EP disclosed
US-20210017100-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE AbbVie Deutschland GmbH & Co. KG (DE) 2021-01-21 US disclosed
US-20210017100-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE AbbVie Deutschland GmbH & Co. KG (DE) 2021-01-21 US disclosed
US-10836688-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose ABBVIE INC. (US) 2020-11-17 US disclosed
US-10836688-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose ABBVIE INC. (US) 2020-11-17 US disclosed
US-10752976-B2 Process of extraction of a platinum group metal or gold from organic compositions with surfactants UNIVERSITE DE STRASBOURG (FR) 2020-08-25 US disclosed
EP-3408258-B1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE ABBVIE DEUTSCHLAND (DE) 2020-07-01 EP disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 US disclosed
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 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 (7 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-20210017100-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE LIPA, ALG1, CEL NPC1 1900/4885RAB9A 4242/4885SMN1; SMN2 4687/4885
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A NPC1 1963/4885RAB9A 613/4885SMN1; SMN2 4764/4885
US-10836688-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose LIPA, ALG1, CEL NPC1 1900/4885RAB9A 4242/4885SMN1; SMN2 4687/4885
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 NPC1 3368/4885RAB9A 3765/4885SMN1; SMN2 2862/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A NPC1 1963/4885RAB9A 613/4885SMN1; SMN2 4764/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A NPC1 1963/4885RAB9A 613/4885SMN1; SMN2 4764/4885
US-11312668-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose LIPA, ALG1, CEL NPC1 1900/4885RAB9A 4242/4885SMN1; SMN2 4687/4885

“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.