SCHEMBL868079

SCHEMBL868079

O=C(O)C/C=C/c1cccnc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.66
PAM P19021 1/20 0.65
MAPT P10636 2/20 0.59
RAB9A P51151 2/20 0.59
KDM4E B2RXH2 2/20 0.59
NPC1 O15118 1/20 0.59
JUN P05412 1/20 0.59
NFKB1 P19838 1/20 0.59
MAPK1 P28482 1/20 0.59
GPR55 Q9Y2T6 1/20 0.59
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56
CYP2D6 P10635 4/20 0.51
CHRNB2 P17787 2/20 0.51
CHRNA4 P43681 2/20 0.51
KMT2A Q03164 2/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA7 P36544 1/20 0.51
PFKFB3 Q16875 1/20 0.51

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
SCHEMBL30227267 1.00 TBXAS1 (0.66) TBXAS1PAMMAPTRAB9AKDM4E
SCHEMBL868080 1.00 TBXAS1 (0.66) TBXAS1PAMMAPTRAB9AKDM4E
SCHEMBL9488251 0.88 MAPT (0.61) TBXAS1MAPTRAB9AKDM4ENPC1
SCHEMBL4592716 0.87 TBXAS1 (0.59) TBXAS1PAMMAPTRAB9AKDM4E
SCHEMBL23992178 0.85 TBXAS1 (0.60) TBXAS1MAPTRAB9AKDM4ENPC1
SCHEMBL17787984 0.85 MAPT (0.62) TBXAS1MAPTRAB9AKDM4ENPC1
SCHEMBL8828219 0.83 PAM (0.56) TBXAS1PAMCYP1A1CYP1A2CYP1B1
SCHEMBL8828225 0.83 PAM (0.56) TBXAS1PAMCYP1A1CYP1A2CYP1B1
SCHEMBL1515204 0.82 MAPT (0.53) TBXAS1PAMMAPTRAB9AKDM4E
SCHEMBL10444608 0.81 TBXAS1 (0.91) TBXAS1MAPTRAB9AKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4142733-B1 HISTONE DEACETYLASE INHIBITORS FOR IMMUNOMODULATION IN TUMOR MICROENVIRONMENT GREAT NOVEL THERAPEUTICS BIOTECH & MEDICALS CORP (TW) 2025-10-01 EP disclosed
US-12213971-B2 Histone deacetylase inhibitors for immunomodulation in tumor microenvironment Great Novel Therapeutics Biotech & Medicals Corporation (TW) 2025-02-04 US disclosed
US-20240245099-A1 AEROSOL-GENERATING ARTICLE WITH BIOMARKER SENSOR PHILIP MORRIS PRODUCTS S.A. (CH) 2024-07-25 US disclosed
EP-4340648-A1 AEROSOL-GENERATING ARTICLE WITH BIOMARKER SENSOR Philip Morris Products S.A. (CH) 2024-03-27 EP disclosed
CN-117295412-A Aerosol-generating article with biomarker sensor 菲利普莫里斯生产公司 2023-12-26 CN disclosed
US-20230263790-A1 HISTONE DEACETYLASE INHIBITORS FOR IMMUNOMODULATION IN TUMOR MICROENVIRONMENT Great Novel Therapeutics Biotech & Medicals Corporation (TW) 2023-08-24 US disclosed
US-20230263790-A1 HISTONE DEACETYLASE INHIBITORS FOR IMMUNOMODULATION IN TUMOR MICROENVIRONMENT Great Novel Therapeutics Biotech & Medicals Corporation (TW) 2023-08-24 US disclosed
US-20230263790-A1 HISTONE DEACETYLASE INHIBITORS FOR IMMUNOMODULATION IN TUMOR MICROENVIRONMENT Great Novel Therapeutics Biotech & Medicals Corporation (TW) 2023-08-24 US disclosed
US-11672788-B2 Histone deacetylase inhibitors for immunomodulation in tumor microenvironment Great Novel Therapeutics Biotech & Medicals Corporation (TW) 2023-06-13 US disclosed
US-11672788-B2 Histone deacetylase inhibitors for immunomodulation in tumor microenvironment Great Novel Therapeutics Biotech & Medicals Corporation (TW) 2023-06-13 US disclosed
US-20120252810-A1 FATTY ACID NON-FLUSHING NIACIN DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2012-10-04 US disclosed
US-20120252810-A1 FATTY ACID NON-FLUSHING NIACIN DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2012-10-04 US disclosed
US-20120077808-A1 Niacin Mimetics, and Methods of Use Thereof TRUSTEES OF TUFTS COLLEGE (US) 2012-03-29 US disclosed
WO-2011163612-A1 NIACIN MIMETICS, AND METHODS OF USE THEREOF TRUSTEES OF TUFTS COLLEGE (US) 2011-12-29 WO disclosed
US-20090312355-A1 Non-Flushing Niacin Analogues, and Methods of Use Thereof TRUSTEES OF TUFTS COLLEGE (US) 2009-12-17 US disclosed
US-20090312355-A1 Non-Flushing Niacin Analogues, and Methods of Use Thereof TRUSTEES OF TUFTS COLLEGE (US) 2009-12-17 US disclosed
US-20090312355-A1 Non-Flushing Niacin Analogues, and Methods of Use Thereof TRUSTEES OF TUFTS COLLEGE (US) 2009-12-17 US disclosed
EP-2054386-A2 NON-FLUSHING NIACIN ANALOGUES, AND METHODS OF USE THEREOF TRUSTEES OF TUFTS COLLEGE (US) 2009-05-06 EP disclosed
WO-2008016968-A2 NON-FLUSHING NIACIN ANALOGUES, AND METHODS OF USE THEREOF TRUSTEES OF TUFTS COLLEGE (US) 2008-02-07 WO disclosed
WO-2008016968-A2 NON-FLUSHING NIACIN ANALOGUES, AND METHODS OF USE THEREOF TRUSTEES OF TUFTS COLLEGE (US) 2008-02-07 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 (6 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-20120252810-A1 FATTY ACID NON-FLUSHING NIACIN DERIVATIVES AND THEIR USES NAMPT, FASN, FFAR2 TBXAS1 1034/4885PAM 1937/4885MAPT 2701/4885
US-20090312355-A1 Non-Flushing Niacin Analogues, and Methods of Use Thereof SLC33A1, CHLSN, APOB TBXAS1 499/4885PAM 3546/4885MAPT 1937/4885
US-20120077808-A1 Niacin Mimetics, and Methods of Use Thereof NAMPT, NADK, NAPRT TBXAS1 701/4885PAM 450/4885MAPT 3643/4885
US-11672788-B2 Histone deacetylase inhibitors for immunomodulation in tumor microenvironment HDAC1, HDAC2, HDAC9 TBXAS1 2522/4885PAM 3934/4885MAPT 3635/4885
US-20230263790-A1 HISTONE DEACETYLASE INHIBITORS FOR IMMUNOMODULATION IN TUMOR MICROENVIRONMENT HDAC1, HDAC2, HDAC9 TBXAS1 2522/4885PAM 3934/4885MAPT 3635/4885
US-12213971-B2 Histone deacetylase inhibitors for immunomodulation in tumor microenvironment HDAC1, HDAC2, HDAC9 TBXAS1 2522/4885PAM 3934/4885MAPT 3635/4885

“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.