SCHEMBL105010

SCHEMBL105010

Nc1ncccc1OCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 1.00
MAPK14 Q16539 1/20 1.00
RAB9A P51151 4/20 0.73
NPC1 O15118 3/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
HTT P42858 1/20 0.73
MAPT P10636 3/20 0.62
DCPS Q96C86 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PPIA P62937 1/20 0.49
ABCB1 P08183 1/20 0.49
BACE1 P56817 1/20 0.49
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
SGMS2 Q8NHU3 1/20 0.48
PDE5A O76074 1/20 0.48
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48

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
Bromide SCHEMBL5755659 0.98 LTA4H (0.96) LTA4HMAPK14RAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL2655772 0.98 LTA4H (0.96) LTA4HMAPK14RAB9ANPC1SMN1; SMN2
SCHEMBL6238398 0.91 LTA4H (0.82) LTA4HMAPK14RAB9ANPC1SMN1; SMN2
SCHEMBL23631385 0.87 LTA4H (0.77) LTA4HMAPK14RAB9ANPC1SMN1; SMN2
SCHEMBL23631386 0.86 LTA4H (0.74) LTA4HMAPK14RAB9ANPC1SMN1; SMN2
SCHEMBL6079578 0.86 LTA4H (0.75) LTA4HMAPK14RAB9ANPC1SMN1; SMN2
SCHEMBL10560686 0.84 LTA4H (0.73) LTA4HMAPK14RAB9ANPC1SMN1; SMN2
SCHEMBL23631387 0.84 LTA4H (0.73) LTA4HMAPK14RAB9ANPC1SMN1; SMN2
SCHEMBL29857565 0.84 LTA4H (0.73) LTA4HMAPK14RAB9ANPC1SMN1; SMN2
SCHEMBL3501194 0.84 LTA4H (0.73) LTA4HMAPK14RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777131-B Synthesis method of paliperidone and key intermediate thereof 合肥华方医药科技有限公司 2024-06-11 CN claimed
CN-117777131-A Synthesis method of paliperidone and key intermediate thereof 合肥华方医药科技有限公司 2024-03-29 CN claimed
CN-117024408-A 1,2, 3-triaryl substituted benzo [ f ] isoindole-4, 9-dione compound and preparation method and application thereof 湘潭大学 2023-11-10 CN claimed
US-11629155-B2 Small molecule antagonist compound TAC5 series having toll-like receptor 3/7/8/9 inhibitory function AJOU UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2023-04-18 US claimed
US-20210214372-A1 SMALL MOLECULE ANTAGONIST COMPOUND TAC5 SERIES HAVING TOLL-LIKE RECEPTOR 3/7/8/9 INHIBITORY FUNCTION AJOU UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2021-07-15 US claimed
CN-107311998-B A kind of preparation method of high-purity 9-hydroxy-risperidone intermediate 济南康和医药科技有限公司 2019-05-14 CN claimed
CN-102797043-B Medicinal molecular fragment library and construction process thereof Tianli (Tianjin) Technology Co., Ltd. (CN) 2015-11-25 CN claimed
CN-102797043-A Medicinal molecular fragment library and construction method thereof CBB NETWORK CO LTD 2012-11-28 CN claimed
US-8242269-B2 Processes for the preparation of paliperidone and pharmaceutically acceptable salts thereof and intermediates for use in the processes CIPLA LIMITED (IN) 2012-08-14 US claimed
US-20110293889-A1 NOVEL AND IMPROVED PROCESSES FOR THE PREPARATION OF PALIPERIDONE MSN LABORATORIES LIMITED (IN) 2011-12-01 US claimed
WO-2009010988-A1 AN IMPROVED, INDUSTRIALLY VIABLE PROCESS FOR THE PREPARATION OF HIGH PURITY PALIPERIDONE NATCO PHARMA LIMITED (IN) 2009-01-22 WO claimed
WO-2008140646-A2 PROCESS FOR THE SYNTHESIS OF CMHTP AND INTERMEDIATES THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-11-20 WO claimed
US-20080214809-A1 Process for the synthesis of CMHTP and intermediates thereof TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-09-04 US claimed
US-20080200676-A1 Process for the synthesis of CMHTP and intermediates thereof TEVA PHARMACEUTICALS USA, INC. 2008-08-21 US claimed
EP-1924583-A2 PROCESS FOR THE SYNTHESIS OF CMHTP AND INTERMEDIATES THEREOF Teva Pharmaceutical Industries Ltd. (IL) 2008-05-28 EP claimed
WO-2008024415-A2 PROCESS FOR THE SYNTHESIS OF CMHTP AND INTERMEDIATES THEREOF TEVA PHARMACEUTICAL INSUSTRIES LTD. (IL) 2008-02-28 WO claimed
CN-1164568-C Process for condensating salicyladehyde with arylamine 中国科学院化学研究所 2004-09-01 CN claimed
CN-1139606-C Norbornene catalytic system and its preparation method and application 中国科学院化学研究所 2004-02-25 CN claimed
CN-1394685-A Norbornene catalytic system and its preparation method and application CHINESE ACAD INST CHEMISTRY (CN) 2003-02-05 CN claimed
CN-1386735-A Process for condensating salicyladehyde with arylamine CHINESE ACAD INST CHEMISTRY (CN) 2002-12-25 CN claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20080214809-A1 Process for the synthesis of CMHTP and intermediates thereof HAMP, TPMT, MPHOSPH6 LTA4H 1629/4885MAPK14 2026/4885RAB9A 2788/4885
US-20080200676-A1 Process for the synthesis of CMHTP and intermediates thereof HAMP, DHPS, MPHOSPH6 LTA4H 1256/4885MAPK14 2212/4885RAB9A 1797/4885
US-11629155-B2 Small molecule antagonist compound TAC5 series having toll-like receptor 3/7/8/9 inhibitory function TLR5, TLR8, TLR9 LTA4H 3039/4885MAPK14 450/4885RAB9A 1337/4885
US-20210214372-A1 SMALL MOLECULE ANTAGONIST COMPOUND TAC5 SERIES HAVING TOLL-LIKE RECEPTOR 3/7/8/9 INHIBITORY FUNCTION TLR5, TLR8, TLR9 LTA4H 3039/4885MAPK14 450/4885RAB9A 1337/4885
US-20110293889-A1 NOVEL AND IMPROVED PROCESSES FOR THE PREPARATION OF PALIPERIDONE AVPR2, AVPR1B, AVPR1A LTA4H 961/4885MAPK14 2900/4885RAB9A 924/4885

“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.