SCHEMBL250413

SCHEMBL250413

O=C(NNc1ccccc1)c1ccncc1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.75
HTT P42858 1/20 0.68
ALDH1A1 P00352 3/20 0.64
GAA P10253 4/20 0.64
CA1 P00915 1/20 0.64
CA9 Q16790 1/20 0.64
KCNK3 O14649 1/20 0.60
KDM4E B2RXH2 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
JAK2 O60674 1/20 0.58
TYK2 P29597 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
TP53 P04637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL425101 0.86 PTGS2 (1.00) PTGS2ALDH1A1GAACA1CA9
Hydrochloric Acid SCHEMBL9017504 0.84 PTGS2 (0.96) PTGS2ALDH1A1GAACA1CA9
SCHEMBL2986200 0.84 ALDH1A1 (0.83) PTGS2HTTALDH1A1GAACA1
SCHEMBL28871751 0.82 PTGS2 (0.70) PTGS2ALDH1A1GAACA1CA9
SCHEMBL28959086 0.82 ALDH1A1 (0.60) PTGS2HTTALDH1A1GAACA1
SCHEMBL28871809 0.82 ALDH1A1 (0.60) PTGS2ALDH1A1GAACA1CA9
SCHEMBL28871725 0.82 ALDH1A1 (0.60) PTGS2HTTALDH1A1GAACA1
SCHEMBL946432 0.81 HTT (1.00) HTTALDH1A1GAACA1CA9
SCHEMBL9785877 0.81 PTGS2 (0.81) PTGS2ALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL28871731 0.81 ALDH1A1 (0.58) PTGS2ALDH1A1GAAKDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240325385-A1 ANTI-TUMOR PHARMACEUTICAL COMPOSITION COMPRISING EZH2 INHIBITOR AND SCD1 INHIBITOR AND USE THEREOF PEKING UNIVERSITY THIRD HOSPITAL (CN) 2024-10-03 US claimed
WO-2024173715-A1 ANTIFUNGAL COMPOSITIONS AND METHODS OF USE THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2024-08-22 WO claimed
WO-2023108563-A1 ANTI-TUMOR PHARMACEUTICAL COMPOSITION COMPRISING EZH2 INHIBITOR AND SD1 INHIBITOR AND USE THEREOF 北京大学第三医院(北京大学第三临床医学院) 2023-06-22 WO claimed
US-20230126711-A1 ENTERIC NITRERGIC NEURONS AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-04-27 US claimed
EP-4125945-A1 ENTERIC NITRERGIC NEURONS AND METHODS OF USING THE SAME The Regents of the University of California (US) 2023-02-08 EP claimed
CN-114177299-A Antitumor pharmaceutical composition containing EZH2 inhibitor and SCD1 inhibitor and application thereof 北京大学第三医院(北京大学第三临床医学院) 2022-03-15 CN claimed
US-20210137934-A1 METHODS OF IDENTIFYING MYC-DRIVEN AND LIPOGENESIS-DEPENDENT NEOPLASMS AND METHODS OF TREATING THE SAME THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2021-05-13 US claimed
WO-2018170316-A1 METHODS OF IDENTIFYING MYC-DRIVEN AND LIPOGENESIS-DEPENDENT NEOPLASMS AND METHODS OF TREATING THE SAME THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2018-09-20 WO claimed
US-4758312-A Adding colorless electrochemically active compound having positive reduction potential NALCO CHEMICAL COMPANY (US) 1988-07-19 US claimed
EP-4687925-A1 THYMIC CELL COMPOSITIONS AND METHODS OF MAKING Thymmune Therapeutics, Inc. (US) 2026-02-11 EP disclosed
US-12492382-B2 Blood type O Rh—hypo-immunogenic cells THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-12-09 US disclosed
US-20250283051-A1 CELLS DIFFERENTIATED FROM IMMUNOENGINEERED PLURIPOTENT CELLS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-09-11 US disclosed
EP-4585223-A2 TRANSPLANTED CELL PROTECTION VIA INHIBITION OF POLYMORPHONUCLEAR CELLS The Regents of the University of California (US) 2025-07-16 EP disclosed
US-12351819-B2 Method for removing undifferentiated pluripotent stem cells ACADEMIA SINICA (TW) 2025-07-08 US disclosed
EP-2068873-A2 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS Pharma 2100 (DK) 2009-06-17 EP disclosed
WO-2008031440-A2 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS PHARMA 2100 (DK) 2008-03-20 WO disclosed
CN-1826335-A Process for producing 1,2, 4-triazole compound and intermediate therefor FUJIYAKUHIN CO LTD (JP) 2006-08-30 CN disclosed
US-4758312-A Adding colorless electrochemically active compound having positive reduction potential NALCO CHEMICAL COMPANY (US) 1988-07-19 US disclosed
EP-0237738-A2 Method for in situ corrosion detection using electrochemically active compounds NALCO CHEMICAL COMPANY (US) 1987-09-23 EP disclosed
US-4683035-A Method for in situ corrosion detection using electrochemically active compounds NALCO CHEMICAL COMPANY (US) 1987-07-28 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-12351819-B2 Method for removing undifferentiated pluripotent stem cells ALPG, UGGT1, GYPA PTGS2 1871/4885HTT 2397/4885ALDH1A1 70/4885
US-20230126711-A1 ENTERIC NITRERGIC NEURONS AND METHODS OF USING THE SAME PROX1, MYH2, NOS2 PTGS2 105/4885HTT 369/4885ALDH1A1 975/4885

“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.