SCHEMBL242546

SCHEMBL242546

Cc1ccc(C(=O)Cl)cc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.72
CES2 O00748 1/20 0.64
CES1 P23141 1/20 0.64
ALDH1A1 P00352 8/20 0.56
KMT2A Q03164 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MEN1 O00255 2/20 0.55
GAA P10253 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
POLB P06746 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
HSP90AA1 P07900 1/20 0.55
CYP3A4 P08684 1/20 0.53
RECQL P46063 1/20 0.53
MAPT P10636 3/20 0.51
MAPK1 P28482 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
SCHEMBL30270576 1.00 TSHR (0.72) TSHRCES2CES1ALDH1A1KMT2A
Ammonia Solution, Strong SCHEMBL27639793 0.98 TSHR (0.70) TSHRCES2CES1ALDH1A1KMT2A
SCHEMBL8109329 0.92 VCAM1 (0.64) TSHRCES2CES1ALDH1A1SMN1; SMN2
SCHEMBL844701 0.86 TSHR (0.72) TSHRALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL17303445 0.85 TSHR (0.77) TSHRCES2CES1ALDH1A1KMT2A
SCHEMBL177231 0.84 TSHR (1.00) TSHRCES2CES1ALDH1A1KMT2A
SCHEMBL30668892 0.84 TSHR (1.00) TSHRCES2CES1ALDH1A1KMT2A
SCHEMBL571521 0.84 TSHR (0.74) TSHRCES2CES1ALDH1A1KMT2A
SCHEMBL30041934 0.84 TSHR (0.74) TSHRCES2CES1ALDH1A1KMT2A
SCHEMBL29492133 0.83 CASP6 (0.69) TSHRALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116178203-B Polyimide containing amide bond and benzonorbornane structure and preparation method thereof 南昌大学 2025-02-14 CN claimed
CN-119269665-A Method for detecting menthol content based on rapid and catalyst-free pre-column derivative liquid chromatography 广东超聚和生物科技有限公司 2025-01-07 CN claimed
CN-116178203-A Polyimide containing amide bond and benzonorbornane structure and preparation method thereof 南昌大学 2023-05-30 CN claimed
CN-112250796-A Preparation method of BX/SGPS nitro-p-methyl benzoate-g-AM/MA 桂林理工大学 2021-01-22 CN claimed
CN-112175141-A Synthesis method of active cross-linked BX/SGPS nitro-p-methyl benzoate-g-AM 桂林理工大学 2021-01-05 CN claimed
CN-112175140-A Synthesis method of active BX/SGPS quaternary graft copolymerization derivative 桂林理工大学 2021-01-05 CN claimed
CN-102267934-B Method for preparing 6-carbomethoxy indolone KINGCHEM DALIAN PHARMASCIENCE CO LTD 2013-04-17 CN claimed
CN-102267934-A Method for preparing 6-carbomethoxy indolone 2011-12-07 CN claimed
CN-122036689-A Nilotinib preparation method of nylon 苏州特瑞药业股份有限公司 2026-05-15 CN disclosed
EP-4630423-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS Third Harmonic Bio, Inc. (US) 2025-10-15 EP disclosed
US-20250154140-A1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF BAX AND/OR BAK, COMPOSITIONS AND USES THEREOF Sunnybrook Research Institute (CA) 2025-05-15 US disclosed
CN-116178203-B Polyimide containing amide bond and benzonorbornane structure and preparation method thereof 南昌大学 2025-02-14 CN disclosed
CN-119431296-A Alpha-MG xanthone-based NO donor compound, synthesis method and application 北京立时达药业有限公司 2025-02-14 CN disclosed
CN-119269665-A Method for detecting menthol content based on rapid and catalyst-free pre-column derivative liquid chromatography 广东超聚和生物科技有限公司 2025-01-07 CN disclosed
US-4120891-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1978-10-17 US disclosed
US-4103028-A SUBSTITUTED HYDROXY NAPHTHALENEDISULFONIC ACIDS AMERICAN CYANAMID COMPANY (US) 1978-07-25 US disclosed
US-4087548-A NAPHTHALENE TRISULFONIC ACIDS AMERICAN CYANAMID COMPANY (US) 1978-05-02 US disclosed
US-4052444-A DIAZO COUPLERS FOR MONOAZO DYES HOECHST AKTIENGESELLSCHAFT (DT) 1977-10-04 US disclosed
US-4046805-A Substituted-hydroxy-naphthalenedisulfonic acid compounds AMERICAN CYANAMID COMPANY (US) 1977-09-06 US disclosed
US-3971741-A DISPERSION PIGMENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 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 (1 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-20250154140-A1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF BAX AND/OR BAK, COMPOSITIONS AND USES THEREOF BAK1, BAX, BCL2 TSHR 4782/4885CES2 4463/4885CES1 4302/4885

“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.