SCHEMBL345760

SCHEMBL345760

O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 7/20 0.47
TDP1 Q9NUW8 3/20 0.47
TSHR P16473 6/20 0.45
LMNA P02545 1/20 0.45
VCAM1 P19320 1/20 0.41
KMT2A Q03164 1/20 0.40
MITF O75030 1/20 0.38
MAPT P10636 1/20 0.38
PTPRC P08575 2/20 0.38
S100A4 P26447 1/20 0.38
ACHE P22303 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL31536932 1.00 HSD17B10 (0.48) HSD17B10ALDH1A1TDP1TSHRLMNA
SCHEMBL2227750 0.79 TSHR (0.48) HSD17B10ALDH1A1TDP1TSHRLMNA
SCHEMBL10688254 0.76 ALDH1A1 (0.46) HSD17B10ALDH1A1TDP1TSHRLMNA
SCHEMBL1424323 0.76 TSHR (0.45) HSD17B10ALDH1A1TDP1TSHRLMNA
SCHEMBL351824 0.76 TSHR (0.48) HSD17B10ALDH1A1TDP1TSHRLMNA
SCHEMBL12275570 0.76 TSHR (0.45) HSD17B10ALDH1A1TDP1TSHRLMNA
SCHEMBL18000477 0.76 TSHR (0.47) HSD17B10ALDH1A1TDP1TSHRLMNA
SCHEMBL30945319 0.76 TSHR (0.48) HSD17B10ALDH1A1TDP1TSHRLMNA
SCHEMBL5313485 0.76 ALDH1A1 (0.47) HSD17B10ALDH1A1TDP1TSHRLMNA
SCHEMBL695579 0.76 POLB (0.42) HSD17B10ALDH1A1TDP1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025059054-A1 PROCESS FOR PREPARING (2S,4S,4'S,6S)-2-METHYL-6-(1-METHYL-1H-1,2,3-TRIAZOL-4-YL)-2',-(TRIELUOROMETHYL)-4',5'-DIHYDROSPIRO[PIPERIDINE-4,7'-THIENO [2,3-C] PYRAN] -4'-OL VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-03-20 WO disclosed
US-12006316-B2 9H-pyrrolo-dipyridine derivatives UCB Biopharma SRL (BE) 2024-06-11 US disclosed
EP-4347032-A1 SUBSTITUTED TETRAHYDROFURAN-2-CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2024-04-10 EP disclosed
CN-117813302-A Substituted tetrahydrofuran-2-carboxamides as sodium channel modulators 沃泰克斯药物股份有限公司 2024-04-02 CN disclosed
CN-111196804-B TGF-beta R1 inhibitors and uses thereof 南京圣和药业股份有限公司 2023-11-07 CN disclosed
EP-4146649-A1 COMPOUNDS AS BCL-2 INHIBITORS Fochon Pharmaceuticals, Ltd. (CN) 2023-03-15 EP disclosed
WO-2022256702-A1 SUBSTITUTED TETRAHYDROFURAN-2-CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-12-08 WO disclosed
US-20220213103-A1 9H-PYRROLO-DIPYRIDINE DERIVATIVES UCB Biopharma SRL (BE) 2022-07-07 US disclosed
US-11312716-B2 9H-pyrrolo-dipyridine derivatives UCB Biopharma SRL 2022-04-26 US disclosed
CN-114364664-A BCAT modulation 伊卡根有限责任公司 2022-04-15 CN disclosed
CN-86107258-A Pyridyl carbamide compound and on agricultural, using 1987-05-27 CN disclosed
WO-1987002665-A1 PYRIDINYLUREA COMPOUNDS AND AGRICULTURAL USES FMC CORPORATION (US) 1987-05-07 WO disclosed
US-4608380-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-08-26 US disclosed
CN-85108132-A Compounds process for production thereof 1986-07-16 CN disclosed
EP-0181163-A2 Heterocyclic phenoxy derivatives having an antihistamine H2 activity SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-05-14 EP disclosed
US-4587240-A ANEMIA, IRON TOXICITY, 1-HYDORXYPYRIDONE-2 NATIONAL RESEARCH DEVELOPMENT CORP. (GB) 1986-05-06 US disclosed
EP-0143630-A2 Chemical compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-06-05 EP disclosed
EP-0138421-A2 Hydroxypyridone derivatives and pharmaceutical compositions containing them NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1985-04-24 EP disclosed
EP-0138420-A2 Pharmaceutical compositions containing 1-hydroxypyrid-2-one derivatives NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1985-04-24 EP disclosed
US-4203988-A ANTISECRETORY AGENTS MERCK & CO., INC. (US) 1980-05-20 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 (3 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-20220213103-A1 9H-PYRROLO-DIPYRIDINE DERIVATIVES MAPT, PSEN1, PRNP HSD17B10 3895/4885ALDH1A1 3567/4885TDP1 38/4885
US-12006316-B2 9H-pyrrolo-dipyridine derivatives MAPT, PSEN1, PRNP HSD17B10 3895/4885ALDH1A1 3567/4885TDP1 38/4885
US-11312716-B2 9H-pyrrolo-dipyridine derivatives MAPT, PSEN1, PRNP HSD17B10 3895/4885ALDH1A1 3567/4885TDP1 38/4885

“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.