SCHEMBL7700608

SCHEMBL7700608

COC(OC)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
LMNA P02545 2/20 0.55
ALDH1A1 P00352 5/20 0.52
ACHE P22303 1/20 0.52
ACP3 P15309 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSP90AA1 P07900 1/20 0.50
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.46
NFE2L2 Q16236 1/20 0.45

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
SCHEMBL30780978 0.84 TSHR (0.53) TSHRLMNAALDH1A1ACHEACP3
SCHEMBL11208136 0.84 TSHR (0.53) TSHRLMNAALDH1A1ACHEACP3
SCHEMBL5243706 0.83 TSHR (0.52) TSHRLMNAALDH1A1ACHEACP3
SCHEMBL20681151 0.83 TSHR (0.52) TSHRLMNAALDH1A1ACHEACP3
SCHEMBL10415892 0.83 TSHR (0.52) TSHRLMNAALDH1A1ACHEACP3
SCHEMBL10638754 0.81 ATM (0.51) TSHRLMNAALDH1A1ACHEACP3
SCHEMBL7273906 0.80 ALDH1A1 (0.53) TSHRLMNAALDH1A1ACHEACP3
SCHEMBL11215770 0.80 TSHR (0.50) TSHRLMNAALDH1A1ACHEACP3
SCHEMBL1025506 0.80 ALDH1A1 (0.43) TSHRLMNAALDH1A1ACP3MAPT
SCHEMBL254876 0.79 TSHR (0.61) TSHRLMNAALDH1A1ACHEACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109394766-A A kind of taxol and to benzene nitrophthalide zionoes BTK inhibitor drug combination compositions and its application 南京先进生物材料与过程装备研究院有限公司 2019-03-01 CN claimed
CN-109331018-A A kind of taxol and nitro phthalazone BTK inhibitor drug combination compositions and its application 南京先进生物材料与过程装备研究院有限公司 2019-02-15 CN claimed
CN-109276571-A A kind of taxol and novel nitro phthalazone BTK inhibitor drug combination compositions and its application 南京先进生物材料与过程装备研究院有限公司 2019-01-29 CN claimed
US-20250066358-A1 Inhibitors of Menin-MLL Interaction BALA THERAPEUTICS, INC. 2025-02-27 US disclosed
EP-4444313-A1 INHIBITORS OF MENIN-MLL INTERACTION Bala Therapeutics, Inc. (US) 2024-10-16 EP disclosed
WO-2023107687-A1 INHIBITORS OF MENIN-MLL INTERACTION BALA THERAPEUTICS, INC. (US) 2023-06-15 WO disclosed
CN-109394766-A A kind of taxol and to benzene nitrophthalide zionoes BTK inhibitor drug combination compositions and its application 南京先进生物材料与过程装备研究院有限公司 2019-03-01 CN disclosed
CN-109331018-A A kind of taxol and nitro phthalazone BTK inhibitor drug combination compositions and its application 南京先进生物材料与过程装备研究院有限公司 2019-02-15 CN disclosed
CN-109276571-A A kind of taxol and novel nitro phthalazone BTK inhibitor drug combination compositions and its application 南京先进生物材料与过程装备研究院有限公司 2019-01-29 CN disclosed
WO-2018029264-A1 PROCESS FOR PREPARATION OF DAPAGLIFLOZIN AND INTERMEDIATES THEREOF AMNEAL PHARMACEUTICALS COMPANY GMBH (CH) 2018-02-15 WO disclosed
US-6340670-B1 THERAPY OF RESTENOSIS RESULTING FROM A VASCULAR ANGIOPLASTY PROCEDURE, VASCULAR RECONSTRUCTIVE SURGERY, OR ORGAN OR TISSUE TRANSPLANTATION, FOR INHIBITING ANGIOGENESIS IN A MALIGNANT TUMOR, SARCOMA, OR NEOPLASTIC TISSUE IN A MAMMAL AMERICAN HOME PRODUCTS CORPORATION 2002-01-22 US disclosed
CN-1328566-A Acetal benzylmaltosides as inhibitors of smooth muscle cell proliferation AMERICAN HOME PROD (US) 2001-12-26 CN disclosed
EP-1150689-A1 CHEMICAL COMPOUNDS NORSK HYDRO ASA (NO) 2001-11-07 EP disclosed
EP-1133509-A1 ACETAL BENZYLMALTOSIDES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 2001-09-19 EP disclosed
WO-2000048609-A1 CHEMICAL COMPOUNDS NORSK HYDRO ASA (NO) 2000-08-24 WO disclosed
WO-2000031096-A1 ACETAL BENZYLMALTOSIDES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-02 WO disclosed
EP-0305812-B1 PROCESS FOR THE PURIFICATION OF NITROBENZALDEHYDE BAYER AG (DE) 1992-03-18 EP disclosed
US-4910345-A Using water, emulsifier mixture without crystallization; separation BAYER AKTIENGESELLSCHAFT (DE) 1990-03-20 US disclosed
EP-0305812-A2 Process for the purification of nitrobenzaldehyde BAYER AG (DE) 1989-03-08 EP 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-20250066358-A1 Inhibitors of Menin-MLL Interaction MLLT1, MEN1, BMI1 TSHR 4606/4885LMNA 531/4885ALDH1A1 3650/4885

“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.