SCHEMBL938253

SCHEMBL938253

O=CCOc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.51
CHRNA4 P43681 7/20 0.51
ORAI1 Q96D31 1/20 0.47
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CHRNA3 P32297 2/20 0.46
CHRNA7 P36544 2/20 0.46
CHRNA1 P02708 1/20 0.46
CHRNG P07510 1/20 0.46
CHRNB1 P11230 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRND Q07001 1/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL30471555 1.00 CHRNB2 (0.51) CHRNB2CHRNA4ORAI1MAPTRAB9A
SCHEMBL14819179 0.82 CYP19A1 (0.50) CHRNB2CHRNA3CHRNB1CHRNB4
SCHEMBL15434709 0.81 CHRNB2 (0.60) CHRNB2CHRNA4ORAI1MAPTRAB9A
SCHEMBL15677926 0.81 CYP19A1 (0.60) RAB9A
SCHEMBL29539805 0.81 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
SCHEMBL6364694 0.81 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
SCHEMBL28205615 0.78 CCNC (0.57) CHRNB2CHRNA4ORAI1MAPTRAB9A
SCHEMBL14351335 0.78 CHRNB2 (0.49) CHRNB2CHRNA4ORAI1MAPTRAB9A
SCHEMBL5186748 0.78 CHRNB2 (0.49) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
Formic Acid SCHEMBL27578102 0.77 CCNC (0.60) CHRNB2CHRNA4MAPTRAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3953341-A1 NOVEL OXADIAZOLE COMPOUNDS FOR CONTROLLING OR PREVENTING PHYTOPATHOGENIC FUNGI PI Industries Ltd. (IN) 2022-02-16 EP claimed
WO-2020208511-A1 NOVEL OXADIAZOLE COMPOUNDS FOR CONTROLLING OR PREVENTING PHYTOPATHOGENIC FUNGI PI INDUSTRIES LIMITED (IN) 2020-10-15 WO claimed
WO-2023083295-A1 ESTER DERIVATIVES OF N4-HYDROXYCYTIDINE AND USE THEREOF SUZHOU SPRING-SEA BIO-PHARMACEUTICALS CO., LTD. (CN) 2023-05-19 WO disclosed
EP-2523951-B1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2015-04-22 EP disclosed
US-8884030-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2014-11-11 US disclosed
US-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2014-01-30 US disclosed
US-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2014-01-30 US disclosed
US-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2014-01-30 US disclosed
US-20130323203-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2013-12-05 US disclosed
US-8569302-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-10-29 US disclosed
US-8569302-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-10-29 US disclosed
WO-2002006223-A1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2002-01-24 WO disclosed
US-4155908-A PSORIASIS, ANTICOAGULANTS MERCK & CO., INC. (US) 1979-05-22 US disclosed
US-4128564-A 9-Thia- and oxothia- and 9-dioxothia-11,12-seco-prostaglandins MERCK & CO., INC. (US) 1978-12-05 US disclosed
US-4102888-A VASODILATORS, ANTITHROMBITIC MERCK & CO., INC. (US) 1978-07-25 US disclosed
US-4085125-A 9-Thia-, 9-oxothia-, and 9-dioxothia-11,12-seco-prostaglandins and processes MERCK & CO., INC. (US) 1978-04-18 US disclosed
US-4066675-A PSORIASIS, THROMBOSIS MERCK & CO., INC. (US) 1978-01-03 US disclosed
US-4059587-A 8-AZA-9-OXO-11-THIA-PROSTANOIC ACID DERIVATIVES; VASODILATORS, ANTICLOTTING, REGULATORS OF IMMUNE RESPONSE MERCK & CO., INC. (US) 1977-11-22 US disclosed
US-4022794-A VASODILATION MERCK & CO., INC. (US) 1977-05-10 US disclosed
US-4018802-A SKIN DISEASES, GROWTH HORMONE STIMULANTS, THROMBUS PREVENTION, IMMUNOLOGY MERCK & CO., INC. (US) 1977-04-19 US 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 (2 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-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 CHRNB2 4880/4885CHRNA4 4852/4885ORAI1 4873/4885
US-20130323203-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 CHRNB2 4880/4885CHRNA4 4852/4885ORAI1 4873/4885

“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.