SCHEMBL43922

SCHEMBL43922

NCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.67
LOXL2 Q9Y4K0 1/20 0.64
LMNA P02545 2/20 0.61
ALDH1A1 P00352 4/20 0.57
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
ATM Q13315 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ACHE P22303 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALOX15 P16050 1/20 0.52
POLB P06746 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
HSP90AA1 P07900 1/20 0.50
CA2 P00918 1/20 0.50

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
SCHEMBL30504205 1.00 TSHR (0.67) TSHRLOXL2LMNAALDH1A1NPC1
Hydrochloric Acid SCHEMBL31687554 0.98 TSHR (0.65) TSHRLOXL2LMNAALDH1A1NPC1
Bromide SCHEMBL31513711 0.98 TSHR (0.65) TSHRLOXL2LMNAALDH1A1NPC1
Hydrochloric Acid SCHEMBL1017929 0.98 TSHR (0.65) TSHRLOXL2LMNAALDH1A1NPC1
Hydrochloric Acid SCHEMBL1970066 0.98 TSHR (0.65) TSHRLOXL2LMNAALDH1A1NPC1
Trimethylammonium SCHEMBL27367476 0.93 TSHR (0.59) TSHRLOXL2LMNAALDH1A1NPC1
Nitrobenzene SCHEMBL11745249 0.86 LOXL2 (0.73) TSHRLOXL2LMNAALDH1A1NPC1
SCHEMBL12209734 0.85 FFAR1 (0.56) TSHRLOXL2LMNAALDH1A1NPC1
SCHEMBL12209750 0.85 NFE2L2 (0.66) TSHRLOXL2LMNAALDH1A1NPC1
SCHEMBL6545015 0.85 TSHR (0.62) TSHRLOXL2LMNAALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119977906-A A-site cation-regulated halide perovskite, and preparation method and application thereof 西北大学 2025-05-13 CN claimed
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2024-04-11 US claimed
CN-117510429-A Compound containing methyl isoxazole structure, and preparation method and application thereof 中国农业大学 2024-02-06 CN claimed
CN-116102428-A Synthesis process of 3-nitrobenzylamine 上海群力化工有限公司 2023-05-12 CN claimed
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases AZEVAN PHARMACEUTICALS, INC. (US) 2022-05-03 US claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
US-9597314-B2 Beta-lactamylalkanoic acids for treating premenstrual disorders AZEVAN PHARMACEUTICALS, INC. (US) 2017-03-21 US claimed
WO-2012154680-A2 MODIFIED AND DERIVATIZED β-GLUCAN COMPOUNDS, COMPOSITIONS, AND METHODS BIOTHERA, INC. (US) 2012-11-15 WO claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
CN-101481316-A Method for refining 3-nitro benzyl amine hydrochlorate SHANGHAI HOST CHEMICALS CO LTD (CN) 2009-07-15 CN claimed
US-6417195-B1 LIBRARIES AND COMBINATORIAL CHEMISTRY LION BIOSCIENCE AG (DE) 2002-07-09 US claimed
US-6337368-B1 WATER INSOLUBLE CARRIERS WITH P-NITROBENZOIC ACID, AROMATIC AMINES, AMIDES, SULFONAMIDES AND HYDRAZIDES KANEKA CORPORATION (JP) 2002-01-08 US claimed
EP-1155001-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2001-11-21 EP claimed
US-6180631-B1 PREVENTING AND TREATING SERINE/THREONINE PROTEIN KINASE-RELATED ABNORMAL CONDITIONS IN MAMMALS ASSOCIATED WITH AN ABERRATION IN A SIGNAL TRANSDUCTION PATHWAY SUCH AS CANCER OR A FIBROTIC DISORDER ASTA MEDICA AKTIENGESELLSCHAFT (DE) 2001-01-30 US claimed
WO-2000050406-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES LION BIOSCIENCE AG (DE) 2000-08-31 WO claimed
EP-0863877-A4 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INST (US) 1999-07-21 EP claimed
US-5874443-A BIOSYNTHESIS TREGA BIOSCIENCES, INC. (US) 1999-02-23 US claimed
CN-1202888-A Isoquinoline derivatives and isoquinoline combinatorial libraries TORREY PINES INST (US) 1998-12-23 CN claimed
EP-0863877-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1998-09-16 EP claimed
WO-1997016428-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-05-09 WO claimed

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-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT TSHR 4856/4885LOXL2 485/4885LMNA 451/4885
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B TSHR 552/4885LOXL2 3215/4885LMNA 1342/4885

“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.