SCHEMBL604349

SCHEMBL604349

[c]1nc(-c2ccccc2)n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MAPK1 P28482 1/20 0.44
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NR1H2 P55055 5/20 0.42
NR1H3 Q13133 5/20 0.42
HPGDS O60760 7/20 0.40
ALOX15 P16050 1/20 0.39
IDO1 P14902 1/20 0.39
METAP2 P50579 1/20 0.39
KEAP1 Q14145 1/20 0.39
POLB P06746 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL970721 0.78 RPA1 (0.47) NPC1RAB9ANR1H2NR1H3METAP2
SCHEMBL4827715 0.78 ALDH1A1 (0.53) SMN1; SMN2HPGDSALOX15IDO1METAP2
SCHEMBL10874362 0.77 CYP1A2 (0.49) NPC1RAB9ASMN1; SMN2IDO1METAP2
SCHEMBL7597983 0.74 XDH (0.50) NPC1RAB9ASMN1; SMN2ALOX15POLB
SCHEMBL971896 0.72 IDO1 (0.43) NPC1RAB9AMAPK1NFKB1NFKB2
SCHEMBL1981034 0.70 NOTUM (0.44) NPC1RAB9APOLBADORA3L3MBTL1
SCHEMBL9322432 0.64 RAB9A (0.50) NPC1RAB9AMAPK1NFKB1NFKB2
SCHEMBL1870772 0.64 L3MBTL1 (0.52) NPC1RAB9AMAPK1NFKB1NFKB2
SCHEMBL371042 0.63 L3MBTL1 (0.74) NPC1RAB9AMAPK1NFKB1NFKB2
SCHEMBL3652642 0.63 NPC1 (1.00) NPC1RAB9AMAPK1NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100482416-C Grinding fluid supply equipment of chemical mechanical grinding machine and grinding fluid mixing method UNITED MICROELECTRONICS CORP (CN) 2009-04-29 CN claimed
CN-1833821-A Grinding fluid supply equipment of chemical mechanical grinding machine and grinding fluid mixing method LIANHUA ELECTRONIC CO LTD (CN) 2006-09-20 CN claimed
CN-114068833-A Organometallic compound, light-emitting device including the same, and electronic apparatus 三星显示有限公司 2022-02-18 CN disclosed
CN-107074878-B 2, 3-dihydro-thiazolo [3,2-a ] pyridin-5-one derivatives, intermediates thereof and their use as antibacterial agents 快尔生物技术公司 2019-12-24 CN disclosed
US-10294244-B2 2,3-dihydro-thiazolo[3,2-A]pyridin-5-one derivatives, intermediates thereof, and their use as antibacterial agents QURETECH BIO AB (SE) 2019-05-21 US disclosed
US-10206401-B2 Pyridine compounds for controlling invertebrate pests II BASF SE (DE) 2019-02-19 US disclosed
US-20180116221-A1 Pyridine Compounds for Controlling Invertebrate Pests II BASF SE (DE) 2018-05-03 US disclosed
US-20170334931-A1 2,3-Dihydro-Thiazolo[3,2-A]Pyridin-5-One Derivatives, Intermediates Thereof, and Their Use as Antibacterial Agents QURETECH BIO AB (SE) 2017-11-23 US disclosed
EP-3218382-A1 2,3-DIHYDRO-THIAZOLO[3,2-A]PYRIDIN-5-ONE DERIVATIVES, INTERMEDIATES THEREOF, AND THEIR USE AS ANTIBACERIAL AGENTS Quretech Bio AB (SE) 2017-09-20 EP disclosed
EP-2616458-B1 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS II BASF SE (DE) 2016-07-20 EP disclosed
WO-2016075296-A1 2,3-DIHYDRO-THIAZOLO[3,2-A]PYRIDIN-5-ONE DERIVATIVES, INTERMEDIATES THEREOF, AND THEIR USE AS ANTIBACERIAL AGENTS QURETECH BIO AB (SE) 2016-05-19 WO disclosed
US-6642223-B2 A benzoazepin or benzodiazepin derivatives, shows excellent anti-vasopressin activity, vasopressin agonistic activity and oxytocin antagonistic activity, and are useful as antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-11-04 US disclosed
EP-0765314-B1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMA CO LTD (JP) 2003-05-07 EP disclosed
EP-1221440-A1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators Otsuka Pharmaceutical Company, Limited (JP) 2002-07-10 EP disclosed
US-20020049194-A1 Benzoheterocyclic derivatives OGAWA HIDENORI (JP) 2002-04-25 US disclosed
US-6335327-B1 Benzoheterocyclic derivatives OTSUKA PHARMACEUTICALS CO., LTD. (JP) 2002-01-01 US disclosed
US-6096735-A Benzoheterocyclic derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-01 US disclosed
US-5670526-A ANTIINFLAMMATORY AGENT, IMMUNOSUPPRESSANT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US disclosed
EP-0765314-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-02 EP disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 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 (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-10294244-B2 2,3-dihydro-thiazolo[3,2-A]pyridin-5-one derivatives, intermediates thereof, and their use as antibacterial agents NOD1, MT-ND1, NDUFB7 NPC1 1311/4885RAB9A 2588/4885MAPK1 871/4885
US-20170334931-A1 2,3-Dihydro-Thiazolo[3,2-A]Pyridin-5-One Derivatives, Intermediates Thereof, and Their Use as Antibacterial Agents NOD1, MT-ND1, NDUFB7 NPC1 1311/4885RAB9A 2588/4885MAPK1 871/4885
US-10206401-B2 Pyridine compounds for controlling invertebrate pests II PRXL2A, NR2C2, SHROOM3 NPC1 4357/4885RAB9A 1202/4885MAPK1 1072/4885
US-20180116221-A1 Pyridine Compounds for Controlling Invertebrate Pests II PRXL2A, SHROOM3, NR2C2 NPC1 4406/4885RAB9A 1131/4885MAPK1 1327/4885
US-20020049194-A1 Benzoheterocyclic derivatives AVPR2, AVPR1A, AVPR1B NPC1 2978/4885RAB9A 1825/4885MAPK1 1660/4885

“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.