SCHEMBL2994680

SCHEMBL2994680

O=C(O)NC(=O)c1ncc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 1/20 0.41
HSPA5 P11021 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
FDPS P14324 1/20 0.37
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
TBXAS1 P24557 2/20 0.35
HTT P42858 1/20 0.35
BRAF P15056 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL5174804 0.82 NPC1 (0.42) NPC1RAB9AKMT2AHSPA5SMN1; SMN2
SCHEMBL3462828 0.80 GAA (0.52) NPC1RAB9AKMT2ASMN1; SMN2GAA
SCHEMBL4433086 0.79 NPC1 (0.40) NPC1RAB9AKMT2AHSPA5SMN1; SMN2
SCHEMBL7288668 0.79 NPC1 (0.40) NPC1RAB9AKMT2AHSPA5SMN1; SMN2
SCHEMBL5202785 0.79
Benzene SCHEMBL5151418 0.78 NPC1 (0.46) NPC1RAB9AKMT2AHSPA5SMN1; SMN2
SCHEMBL9682958 0.78 SMN1; SMN2 (0.47) NPC1RAB9AKMT2AHSPA5SMN1; SMN2
SCHEMBL1822218 0.78
SCHEMBL1857157 0.78
SCHEMBL2213386 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11578053-B2 Chemical process for preparing phenylpiperidinyl indole derivatives NOVARTIS AG (CH) 2023-02-14 US disclosed
US-20220169630-A1 CHEMICAL PROCESS FOR PREPARING PHENYLPIPERIDINYL INDOLE DERIVATIVES NOVARTIS AG (CH) 2022-06-02 US disclosed
US-11208398-B2 Chemical process for preparing phenylpiperidinyl indole derivatives NOVARTIS AG (CH) 2021-12-28 US disclosed
US-8252954-B2 Processes for the preparation of calixarene derivatives THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2012-08-28 US disclosed
US-20100185022-A1 PROCESSES FOR THE PREPARATION OF CALIXARENE DERIVATIVES THE UNIVERSITY OF WESTERN AUSTRALIA (AU) 2010-07-22 US disclosed
US-7572898-B2 Process of making an alpha-anomer enriched 2-deoxy-2,2-difluoro-D-ribofuranosyl sulfonate and use thereof for making a beta nucleoside SCINOPHARM TAIWAN, LTD. (TW) 2009-08-11 US disclosed
US-7470784-B2 Methods for synthesizing 2-chloro-9-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-9H-purin-6-amine SOUTHERN RESEARCH INSTITUTE (US) 2008-12-30 US disclosed
WO-2008148168-A1 PROCESSES FOR THE PREPARATION OF CALIXARENE DERIVATIVES THE UNIVERSITY OF WESTERN AUSTRALIA (AU) 2008-12-11 WO disclosed
EP-1891087-A4 PROCESS OF MAKING AN ALPHA-ANOMER ENRICHED 2-DEOXY-2,2-DIFLOURO-D-RIBOFURANOSYL SULFONATE AND USE THEREOF FOR MAKING A BETA NUCLEOSIDE SCINOPHARM TAIWAN LTD (TW) 2008-07-30 EP disclosed
EP-1891087-A1 PROCESS OF MAKING AN ALPHA-ANOMER ENRICHED 2-DEOXY-2,2-DIFLOURO-D-RIBOFURANOSYL SULFONATE AND USE THEREOF FOR MAKING A BETA NUCLEOSIDE ScinoPharm Taiwan, Ltd. (TW) 2008-02-27 EP disclosed
EP-0577302-A1 Process for preparing alpha-anomer enriched 2-deoxy-2,2-difluoro-D-ribofuranosyl sulfonates ELI LILLY AND COMPANY (US) 1994-01-05 EP disclosed
EP-0577304-A1 Stereoselective anion glycosylation process ELI LILLY AND COMPANY (US) 1994-01-05 EP disclosed
EP-0577303-A1 Stereoselective glycosylation process ELI LILLY AND COMPANY (US) 1994-01-05 EP disclosed
EP-0576232-A1 Process for separating 2-deoxy-2, 2-difluoro-D-ribofuranosyl alkylsulfonate anomers ELI LILLY AND COMPANY (US) 1993-12-29 EP disclosed
EP-0576229-A1 Low temperature process for preparing alpha-anomer enriched 2-deoxy-2, 2-difluoro-D-ribofuranosyl sulfonates ELI LILLY AND COMPANY (US) 1993-12-29 EP disclosed
EP-0576231-A1 Process for preparing alpha-anomer enriched 1-halo-2-deoxy-2, 2-difluoro-D-ribofuranosyl derivatives ELI LILLY AND COMPANY (US) 1993-12-29 EP disclosed
US-5256798-A Treating beta-anomer ribofuranosyl sulfonate with source of conjugate anion ELI LILLY AND COMPANY (US) 1993-10-26 US disclosed
US-5256797-A Process for separating 2-deoxy-2,2-difluoro-D-ribofuranosyl alkylsulfonate anomers ELI LILLY AND COMPANY (US) 1993-10-26 US disclosed
EP-0493508-A1 NOVEL PEPTIDES ASSOCIATED WITH THE CD4 BINDING REGION OF GP120 AND THEIR METHODS OF USE IDEC PHARMACEUTICALS CORPORATION (US) 1992-07-08 EP disclosed
WO-1991004273-A2 NOVEL PEPTIDES ASSOCIATED WITH THE CD4 BINDING REGION OF GP120 AND THEIR METHODS OF USE IDEC PHARMACEUTICALS CORP. (US) 1991-04-04 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-20220169630-A1 CHEMICAL PROCESS FOR PREPARING PHENYLPIPERIDINYL INDOLE DERIVATIVES IDO1, CYP3A7, PAH NPC1 1271/4885RAB9A 1690/4885KMT2A 971/4885
US-11208398-B2 Chemical process for preparing phenylpiperidinyl indole derivatives CYP3A7, CYP3A5, IDO1 NPC1 1294/4885RAB9A 1824/4885KMT2A 1019/4885
US-20100185022-A1 PROCESSES FOR THE PREPARATION OF CALIXARENE DERIVATIVES CALD1, CANX, CALU NPC1 1213/4885RAB9A 1164/4885KMT2A 4773/4885
US-11578053-B2 Chemical process for preparing phenylpiperidinyl indole derivatives IDO1, CYP3A7, PAH NPC1 1271/4885RAB9A 1690/4885KMT2A 971/4885

“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.