SCHEMBL6960978

SCHEMBL6960978

CCNCc1ccc(OCCc2csc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.42
MAPT P10636 5/20 0.42
PTGS1 P23219 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 2/20 0.39
PTGS2 P35354 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 5/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
KLKB1 P03952 1/20 0.37
KLK1 P06870 1/20 0.37
SCN2A Q99250 1/20 0.36

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
SCHEMBL6954172 0.83 SMN1; SMN2 (0.41) TP53MAPTPTGS1SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL6960938 0.79 PPARG (0.40) PTGS1PTGS2PPARASCN2A
Hydrochloric Acid SCHEMBL6964746 0.79 PPARG (0.40) PTGS1PTGS2PPARASCN2A
Hydrochloric Acid SCHEMBL6964752 0.79 PPARG (0.40) PTGS1PTGS2PPARASCN2A
Hydrochloric Acid SCHEMBL6960783 0.73 PPARG (0.39) PTGS1KDM4EPPARASCN2A
SCHEMBL6960693 0.73 PTGS1 (0.46) PTGS1PTGS2
SCHEMBL1928429 0.72 PTGS1 (0.50) PTGS1PTGS2
SCHEMBL6964571 0.72 CNR1 (0.42) SMN1; SMN2KDM4EPPARASCN2A
SCHEMBL9005901 0.71 ALDH1A1 (0.49) TP53MAPTKDM4ERAB9ALMNA
Hydrochloric Acid SCHEMBL1928376 0.71 PTGS1 (0.49) PTGS1PTGS2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6579871-B2 Phenyl oxazoles or thiazoles ELI LILLY AND COMPANY 2003-06-17 US disclosed
EP-0971709-B1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS LILLY CO ELI (US) 2003-05-21 EP disclosed
US-20030050311-A1 Methods of using novel compounds as neuro-protective agents PANETTA JILL ANN (US) 2003-03-13 US disclosed
US-20020177595-A1 Novel compounds useful as neuro-protective agents PANETTA JILL ANN (US) 2002-11-28 US disclosed
US-6472387-B1 Methods of using compounds as neuro-protective agents ELI LILLY AND COMPANY 2002-10-29 US disclosed
US-6448396-B2 2-((3,5-DIALKYL-4-HYDROXYPHENYL-4-(2-(AMINOALKYLPHENOXY)ETHYL) OXAZOLES; ANTIISCHEMIC AGENTS; REPERFUSION INJURY OF PERIPHERAL ORGANS; FREE RADICAL ANTAGONISTS; PARKINSON'S AND ALZHEIMER'S DISESES; DOWN'S SYNDROME; AMYOTROPHIC LATERAL S. ELI LILLY AND COMPANY 2002-09-10 US disclosed
US-6423709-B1 FOR THERAPY OF ALZHEIMER'S DISEASE, PARKINSON'S DISEASE, AMYTROPHIC LATERAL SCLEROSIS OR CEREBRAL TRAUMA IN A MAMMAL ELI LILLY AND COMPANY 2002-07-23 US disclosed
US-20020065274-A1 METHODS OF USING NOVEL COMPOUNDS AS NEURO-PROTECTIVE AGENTS PANETTA JILL ANN (US) 2002-05-30 US disclosed
US-6380213-B1 PHENYL OXAZOLES, THIAZOLES, OXAZOLINES, OXADIAZOLES AND BENZOXAZOLES ELI LILLY AND COMPANY 2002-04-30 US disclosed
US-20010027194-A1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS ELI LILLY AND COMPANY 2001-10-04 US disclosed
US-6166216-A Compounds useful as neuro-protective agents ELI LILLY AND COMPANY (US) 2000-12-26 US disclosed
US-6156748-A Compounds useful as neuro-protective agents ELI LILLY AND COMPANY (US) 2000-12-05 US disclosed
WO-1999018091-A1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS ELI LILLY AND COMPANY (US) 1999-04-15 WO disclosed
EP-0908454-A2 Oxazoles, thiazoles, oxazolines, oxadiazoles and benzoxazoles useful as neuro-protective agents ELI LILLY AND COMPANY (US) 1999-04-14 EP 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-20010027194-A1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS NLN, PRDX5, TXN2 TP53 4877/4885MAPT 1038/4885PTGS1 380/4885
US-20020177595-A1 Novel compounds useful as neuro-protective agents NLN, PRDX5, TXN2 TP53 4877/4885MAPT 1038/4885PTGS1 380/4885
US-20020065274-A1 METHODS OF USING NOVEL COMPOUNDS AS NEURO-PROTECTIVE AGENTS NLN, GAP43, TXN2 TP53 4853/4885MAPT 990/4885PTGS1 453/4885
US-20030050311-A1 Methods of using novel compounds as neuro-protective agents NLN, GAP43, TXN2 TP53 4853/4885MAPT 990/4885PTGS1 453/4885

“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.