SCHEMBL29450770

SCHEMBL29450770

Nc1nc(COC(=O)c2ccc([N+](=O)[O-])cc2)nc(Nc2ccccc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UBE2B P63146 1/20 1.00
NPC1 O15118 5/20 0.59
RAB9A P51151 4/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
CASP6 P55212 1/20 0.52
MAPT P10636 2/20 0.50
HTT P42858 2/20 0.50
KMT2A Q03164 2/20 0.50
BLM P54132 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX5 P09917 1/20 0.45
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
PIN1 Q13526 1/20 0.43

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
SCHEMBL12847417 0.75 L3MBTL1 (0.71) UBE2BNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL27294394 0.74 UBE2B (0.58) UBE2BNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL13225628 0.72 SMN1; SMN2 (0.88) NPC1RAB9AL3MBTL1SMN1; SMN2CASP6
SCHEMBL523154 0.71 KMT2A (0.67) NPC1RAB9AMAPTHTTKMT2A
SCHEMBL21645600 0.71 CGAS (0.55) UBE2BRAB9ASMN1; SMN2MAPTHTT
SCHEMBL31691209 0.70 MAPT (0.61) UBE2BNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL8358751 0.69 KMT2A (0.67) NPC1RAB9AL3MBTL1HTTKMT2A
SCHEMBL2493403 0.69 NPC1 (1.00) NPC1RAB9AL3MBTL1SMN1; SMN2MAPT
SCHEMBL7533984 0.68 CCNB2 (0.64) UBE2BRAB9AL3MBTL1MAPTHTT
SCHEMBL21891720 0.68 UBE2B (0.52) UBE2BNPC1RAB9AL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12617905-B2 Crosslinked alginic acid MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2026-05-05 US claimed
US-20240316248-A1 TRANSPLANTATION DEVICE USING CHEMICALLY CROSSLINKED ALGINIC ACID MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2024-09-26 US claimed
CN-116375754-B Boron-nitrogen compound and organic electroluminescent device 季华实验室 2023-09-12 CN claimed
US-20230035986-A1 NOVEL CROSSLINKED ALGINIC ACID MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2023-02-02 US claimed
US-12617905-B2 Crosslinked alginic acid MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2026-05-05 US disclosed
US-12559475-B2 Tetrazine compound capable of having rapid cycloaddition reaction with non-strained olefinic boronic acid and biomedical application thereof NANJING UNIVERSITY (CN) 2026-02-24 US disclosed
US-12441713-B2 Organic compound and organic electroluminescent device comprising the same SOLUS ADVANCED MATERIALS CO., LTD. (KR) 2025-10-14 US disclosed
US-20250250250-A1 TETRAZINE COMPOUND CAPABLE OF HAVING RAPID CYCLOADDITION REACTION WITH NON-STRAINED OLEFINIC BORONIC ACID AND BIOMEDICAL APPLICATION THEREOF NANJING UNIVERSITY (CN) 2025-08-07 US disclosed
CN-119925624-A Liver targeting compound and conjugate, preparation method and application thereof 上海数因信科智能科技有限公司 2025-05-06 CN disclosed
CN-118973983-A Sintered body 东曹株式会社 2024-11-15 CN disclosed
US-20240342340-A1 MULTILAYER STRUCTURE USING CHEMICALLY CROSSLINKED ALGINIC ACID MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2024-10-17 US disclosed
US-20240316248-A1 TRANSPLANTATION DEVICE USING CHEMICALLY CROSSLINKED ALGINIC ACID MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2024-09-26 US disclosed
CN-113166107-B Organic compound and organic electroluminescent element comprising same 索路思高新材料有限公司 2024-04-23 CN disclosed
CN-114671851-B Naphthalimide-tetrazine compound and preparation method and application thereof 中国医学科学院药物研究所 2024-03-26 CN disclosed
CN-116444451-A Water-soluble tetrazine and tetrazine membrane probe, and preparation method and application thereof 四川大学华西医院 2023-07-18 CN disclosed
US-20230035986-A1 NOVEL CROSSLINKED ALGINIC ACID MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2023-02-02 US disclosed
CN-114671851-A Naphthalimide-tetrazine compound and preparation method and application thereof 中国医学科学院药物研究所 2022-06-28 CN disclosed
US-20220077400-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME SOLUS ADVANCED MATERIALS CO., LTD. (KR) 2022-03-10 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 (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-12559475-B2 Tetrazine compound capable of having rapid cycloaddition reaction with non-strained olefinic boronic acid and biomedical application thereof ERBB2, SLC7A1, BCL6 UBE2B 1178/4885NPC1 973/4885RAB9A 1338/4885
US-20220077400-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ELAVL1, VDAC1, ELAVL3 UBE2B 1579/4885NPC1 833/4885RAB9A 1572/4885
US-20250250250-A1 TETRAZINE COMPOUND CAPABLE OF HAVING RAPID CYCLOADDITION REACTION WITH NON-STRAINED OLEFINIC BORONIC ACID AND BIOMEDICAL APPLICATION THEREOF TBCA, BTD, TBC1D15 UBE2B 943/4885NPC1 2070/4885RAB9A 1967/4885
US-12441713-B2 Organic compound and organic electroluminescent device comprising the same ELAVL1, VDAC1, ELAVL3 UBE2B 1579/4885NPC1 833/4885RAB9A 1572/4885
US-12617905-B2 Crosslinked alginic acid ALG1, ANXA6, HEXB UBE2B 229/4885NPC1 4601/4885RAB9A 3138/4885

“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.