SCHEMBL10155626

SCHEMBL10155626

Cc1cc(CO)cc([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.63
ACHE P22303 2/20 0.46
HTT P42858 3/20 0.42
GPR35 Q9HC97 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 4/20 0.42
TTR P02766 1/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 2/20 0.40
CYP19A1 P11511 1/20 0.40
GALR3 O60755 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL716259 0.86 CYP19A1 (0.54) TSHRHTTGPR35MEN1KMT2A
SCHEMBL561018 0.86 CYP19A1 (0.48) TSHRHTTGPR35MEN1KMT2A
SCHEMBL6304685 0.85 TSHR (0.63) TSHRACHEHTTGPR35MEN1
SCHEMBL13598125 0.82 TSHR (0.65) TSHRACHEHTTGPR35MEN1
SCHEMBL1099443 0.81 TSHR (0.63) TSHRACHEHTTGPR35MEN1
SCHEMBL16199349 0.81 TSHR (0.63) TSHRACHEHTTGPR35MEN1
SCHEMBL16960540 0.81 HTT (0.48) TSHRHTTGPR35MEN1KMT2A
SCHEMBL5722520 0.79 TSHR (0.67) TSHRACHEHTTGPR35MEN1
SCHEMBL16954443 0.79 TSHR (0.61) TSHRACHEHTTGPR35MEN1
SCHEMBL1097495 0.79 TSHR (1.00) TSHRACHEHTTGPR35MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115066428-B Boric acid derivatives 首药控股(北京)股份有限公司 2025-06-13 CN disclosed
US-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS SCHRÖDINGER, INC. 2023-06-01 US disclosed
CN-115066428-A Boronic acid derivatives 首药控股(北京)股份有限公司 2022-09-16 CN disclosed
WO-2021143924-A1 BORIC ACID DERIVATIVE 首药控股(北京)股份有限公司 2021-07-22 WO disclosed
WO-2021143924-A1 BORIC ACID DERIVATIVE 首药控股(北京)股份有限公司 2021-07-22 WO disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
EP-2114941-B1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2015-03-25 EP disclosed
US-20120015961-A1 ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-01-19 US disclosed
WO-2010041665-A1 LIQUID CRYSTAL ALIGNING AGENT AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME 日産化学工業株式会社 (JP) 2010-04-15 WO disclosed
US-4950673-A 5-amino or substituted amino 1,2,3-triazoles MERCK & CO., INC. (US) 1990-08-21 US disclosed
US-4816469-A 5-Amino or substituted amino 1,2,3-triazoles MERCK & CO., INC. (US) 1989-03-28 US disclosed
US-4721791-A 5-amino or substituted amino 1,2,3-triazoles MERCK & CO., INC. (US) 1988-01-26 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-20120015961-A1 ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY BACE1, BACE2, APP TSHR 837/4885ACHE 7/4885HTT 372/4885
US-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B TSHR 1333/4885ACHE 4876/4885HTT 1969/4885

“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.