SCHEMBL468097

SCHEMBL468097

C1=CN[C](c2ccccc2)N=C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
MAPK1 P28482 2/20 0.37
NOTUM Q6P988 1/20 0.36
ALOX15 P16050 1/20 0.33
IDO1 P14902 1/20 0.33
METAP2 P50579 1/20 0.33
KEAP1 Q14145 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
POLB P06746 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31

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
SCHEMBL27344588 0.64 GRK6 (0.33) KEAP1MEN1KMT2A
Hydrochloric Acid SCHEMBL7477355 0.64 GRK6 (0.33) KEAP1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11838920 0.61 ALDH1A1 (0.44) RAB9ANPC1MAPK1NOTUMALOX15
SCHEMBL5259565 0.61 NOTUM (0.40) RAB9ANPC1MAPK1NOTUMALOX15
Biphenyl SCHEMBL27555788 0.59 ALDH1A1 (0.90) RAB9ANPC1MAPK1NOTUMALDH1A1
SCHEMBL1056990 0.59
SCHEMBL28062294 0.57 NPC1 (0.62) RAB9ANPC1MAPK1NOTUMALDH1A1
SCHEMBL33833 0.57 NPC1 (0.62) RAB9ANPC1MAPK1NOTUMALDH1A1
Biphenyl SCHEMBL27498009 0.57 ALDH1A1 (0.82) RAB9ANPC1MAPK1NOTUMALDH1A1
Biphenyl SCHEMBL27730207 0.57 ALDH1A1 (0.82) RAB9ANPC1MAPK1NOTUMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037328-B2 Compounds containing benzo[d][1,3]oxathiole, benzo[d][1,3]oxathiole 3-oxide or benzo[d][1,3]oxathiole 3,3-dioxide and methods/uses thereof as agonists of G protein-coupled receptor 119 PRAMANA PHARMACEUTICALS INC. (CA) 2024-07-16 US disclosed
US-12029731-B2 Acyl benzo[d]thiazol-2-amine and their methods of use BIOHAVEN THERAPEUTICS LTD. (US) 2024-07-09 US disclosed
US-12029728-B2 Small molecules with anti-protozoan activity NEW MEXICO TECH UNIVERSITY RESEARCH PARK CORPORATION (US) 2024-07-09 US disclosed
EP-4387608-A1 PRODRUGS AND DERIVATIVES OF PSILOCIN AND USES THEREOF Terran Biosciences, Inc. (US) 2024-06-26 EP disclosed
EP-4384498-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER Onconova Therapeutics, Inc. (US) 2024-06-19 EP disclosed
EP-4380566-A1 METHODS OF TREATING MIGRAINE WITH MNK INHIBITORS 4E Therapeutics, Inc. (US) 2024-06-12 EP disclosed
US-12005047-B2 Riluzole prodrugs and their use BIOHAVEN THERAPEUTICS LTD. (US) 2024-06-11 US disclosed
US-12005046-B2 Riluzole prodrugs and their use BIOHAVEN THERAPEUTICS LTD. (US) 2024-06-11 US disclosed
CN-118119389-A Prodrugs and derivatives of des-phosphate nupharicin and uses thereof 人类生物科学股份有限公司 2024-05-31 CN disclosed
CN-118076583-A Methods and compositions for treating cancer 安可诺瓦治疗公司 2024-05-24 CN disclosed
US-6043247-A A SUBSTITUTED ACRYLIC ACIDS FOR USE IN TREATMENT OF HUMAN AND ANIMAL DISORDERS, AND PURIFICATION OF PROTEINS OR GLYCOPROTEINS, AND TO THEIR USE IN DIAGNOSIS NOVO NORDISK A/S (DK) 2000-03-28 US disclosed
US-5972978-A FOR USE IN TREATMENT OF HUMAN AND ANIMAL DISORDERS, USE FOR PURIFICATION OF PROTEINS OR GLYCOPROTEINS, USE IN DIAGNOSIS NOVO NORDISK A/S (DK) 1999-10-26 US disclosed
US-5958957-A PROTEIN TYROSINE PHOSPHATASES, PROTEINS WITH SRC-MONOLOGY 2-DOMAINS; ANTICARCINOGENIC,-TUMOR AND DIABETIC AGENTS; PURIFICATION OF PROTEINS AND GLYCOPROTEINS; MEDICAL DIAGNOSIS NOVO NORDISK A/S (DK) 1999-09-28 US disclosed
WO-1999046244-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed
WO-1999046267-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed
WO-1999046236-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed
WO-1999046268-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed
WO-1999046237-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed
WO-1999015529-A1 MODULES OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 1999-04-01 WO disclosed
WO-1997040017-A2 MODULATORS OF MOLECULES WITH PHOSPHOTYROSINE RECOGNITION UNITS NOVO NORDISK A/S (DK) 1997-10-30 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-12005046-B2 Riluzole prodrugs and their use APEH, ALDH1A2, UGT1A9 RAB9A 985/4885NPC1 3564/4885MAPK1 1764/4885
US-12029731-B2 Acyl benzo[d]thiazol-2-amine and their methods of use BRCA1, ABAT, HDAC1 RAB9A 2467/4885NPC1 1647/4885MAPK1 3561/4885
US-12005047-B2 Riluzole prodrugs and their use APEH, ALDH1A2, UGT1A9 RAB9A 985/4885NPC1 3564/4885MAPK1 1764/4885
US-12037328-B2 Compounds containing benzo[d][1,3]oxathiole, benzo[d][1,3]oxathiole 3-oxide or benzo[d][1,3]oxathiole 3,3-dioxide and methods/uses thereof as agonists of G protein-coupled receptor 119 GPR119, GPR3, GPR39 RAB9A 1695/4885NPC1 2081/4885MAPK1 1833/4885
US-12029728-B2 Small molecules with anti-protozoan activity GBA3, CTSA, ITPA RAB9A 517/4885NPC1 506/4885MAPK1 4016/4885

“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.