SCHEMBL653911

SCHEMBL653911

Nc1ccc(-c2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.81
POLB P06746 3/20 0.81
MAPT P10636 2/20 0.81
MEN1 O00255 2/20 0.81
KMT2A Q03164 2/20 0.81
ALDH1A1 P00352 3/20 0.58
CYP3A4 P08684 1/20 0.58
ALOX15 P16050 1/20 0.58
CRHBP P24387 1/20 0.58
CRHR2 Q13324 1/20 0.58
TSHR P16473 1/20 0.55
LMNA P02545 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53
FFAR4 Q5NUL3 1/20 0.51
PKM P14618 1/20 0.50
IKBKB O14920 1/20 0.47
ABCC1 P33527 2/20 0.47
ABCB1 P08183 2/20 0.47
KCNMA1 Q12791 1/20 0.47
MAPK1 P28482 2/20 0.46

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
SCHEMBL30255693 1.00 TDP1 (0.81) TDP1POLBMAPTMEN1KMT2A
SCHEMBL29409289 0.90 MAPT (1.00) TDP1POLBMAPTMEN1KMT2A
SCHEMBL737722 0.90 MAPT (1.00) TDP1POLBMAPTMEN1KMT2A
SCHEMBL30581227 0.87 MAPT (0.85) TDP1POLBMAPTMEN1KMT2A
SCHEMBL9649469 0.87 TDP1 (0.85) TDP1POLBMAPTMEN1KMT2A
SCHEMBL3178960 0.87 MAPT (0.85) TDP1POLBMAPTMEN1KMT2A
SCHEMBL10714493 0.87 TDP1 (0.85) TDP1POLBMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL3973011 0.86 MAPT (0.92) TDP1POLBMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL3973012 0.86 MAPT (0.92) TDP1POLBMAPTMEN1KMT2A
SCHEMBL31570099 0.85 MAPT (0.58) TDP1POLBMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118004997-A Preparation method of pore-diameter-adjustable porous carbon material 东南大学 2024-05-10 CN claimed
CN-116199674-A Rhodamine fluorescence quenching agent based on torsion intramolecular charge transfer, synthesis and application 中国科学院大连化学物理研究所 2023-06-02 CN claimed
CN-104292167-A Nitric oxide donor derivatives of bendamustine hydrochloride and preparation method of nitric oxide donor derivatives UNIV CHENGDU 2015-01-21 CN claimed
WO-2025100475-A1 COMPOSITION FOR IMAGE RECORDING AND METHOD FOR PRODUCING SAME キヤノン株式会社 2025-05-15 WO disclosed
EP-4389852-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO LTD (KR) 2025-04-02 EP disclosed
US-20240244858-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2024-07-18 US disclosed
US-20240244858-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2024-07-18 US disclosed
EP-4389852-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2024-06-26 EP disclosed
CN-118221744-A Organometallic compound, organic light-emitting device including the same, and electronic apparatus including the organic light-emitting device 三星电子株式会社 2024-06-21 CN disclosed
CN-118004997-A Preparation method of pore-diameter-adjustable porous carbon material 东南大学 2024-05-10 CN disclosed
CN-116199674-A Rhodamine fluorescence quenching agent based on torsion intramolecular charge transfer, synthesis and application 中国科学院大连化学物理研究所 2023-06-02 CN disclosed
EP-0464900-A2 2-Biphenyl-carbapenems MERCK & CO. INC. (US) 1992-01-08 EP disclosed
US-5025006-A Carbapenicillin antibiotics MERCK & CO., INC. (US) 1991-06-18 US disclosed
US-5011832-A 2-biphenyl-carbapenem antibacterial agents MERCK & CO., INC. (US) 1991-04-30 US disclosed
US-4670566-A ANTIIFLAMMATORY AGENTS, ANTICOAGULANTS A. H. ROBINS COMPANY, INCORPORATED (US) 1987-06-02 US disclosed
EP-0065811-B1 DISPERSE AZOPYRIMIDINE DYESTUFFS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-01-02 EP disclosed
US-4440785-A Methods of using 2-aminobiphenylacetic acids, esters, and metal salts thereof to treat inflammation A. H. ROBINS COMPANY, INC. (US) 1984-04-03 US disclosed
EP-0065811-A1 Disperse azopyrimidine dyestuffs IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-12-01 EP disclosed
US-4064127-A Trifluoromethyl dibenzo[a,c]phenazines as immune regulants ELI LILLY AND COMPANY (US) 1977-12-20 US disclosed
US-4024142-A 9-(TRIFLUOROMETHYL)ACENAPHTHO(1,2-B) QUINOXALINE ELI LILLY AND COMPANY (US) 1977-05-17 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-20240244858-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE CRY1, CRY2, C1S TDP1 3326/4885POLB 3237/4885MAPT 3344/4885

“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.