SCHEMBL4228733

SCHEMBL4228733

[CH2]c1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.49
TRPV1 Q8NER1 1/20 0.49
ERN1 O75460 1/20 0.41
LMNA P02545 1/20 0.40
PKM P14618 2/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
PMM2 O15305 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
MPI P34949 1/20 0.37
PHOSPHO1 Q8TCT1 1/20 0.37

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
SCHEMBL27875767 0.98 S100A4 (0.47) S100A4TRPV1ERN1LMNAPKM
SCHEMBL16950389 0.83 S100A4 (0.45) S100A4TRPV1ERN1MAPK1ALDH1A1
SCHEMBL1561802 0.80 TSHR (0.56) S100A4TRPV1ERN1LMNAPKM
SCHEMBL24508 0.78 S100A4 (0.56) S100A4TRPV1ERN1LMNAPKM
SCHEMBL204357 0.78 S100A4 (0.61) S100A4TRPV1ERN1PKMMAPK1
SCHEMBL29395434 0.78 S100A4 (0.56) S100A4TRPV1ERN1LMNAPKM
SCHEMBL3282011 0.77 S100A4 (0.50) S100A4TRPV1ERN1LMNAPKM
SCHEMBL232696 0.77 TDP1 (0.61) S100A4LMNAMAPK1ALDH1A1CYP1A2
SCHEMBL16655574 0.75 S100A4 (0.49) S100A4TRPV1ERN1LMNAPKM
SCHEMBL405513 0.75 PARP1 (0.53) S100A4TRPV1ERN1LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230020319-A1 COMPOSITIONS AND METHODS FOR OPTOCHEMICAL CONTROL OF MTOR SIGNALING AND MTOR-DEPENDENT AUTOPHAGY THE UNIVERSITY OF HONG KONG (HK) 2023-01-19 US claimed
CN-115531535-A Compositions and methods for photochemical control of mTOR signaling and mTOR-dependent autophagy 香港大学 2022-12-30 CN claimed
EP-3221328-A1 PHOTOBLOCKED PROBES AND METHODS FOR SEQUENTIAL DETECTION OF NUCLEIC ACIDS Roche Diagnostics GmbH (DE) 2017-09-27 EP claimed
US-9745618-B2 Photoblocked probes and methods for sequential detection of nucleic acids ROCHE MOLECULAR SYSTEMS, INC. (US) 2017-08-29 US claimed
WO-2016079078-A1 PHOTOBLOCKED PROBES AND METHODS FOR SEQUENTIAL DETECTION OF NUCLEIC ACIDS ROCHE DIAGNOSTICS GMBH (DE) 2016-05-26 WO claimed
US-20160138092-A1 PHOTOBLOCKED PROBES AND METHODS FOR SEQUENTIAL DETECTION OF NUCLEIC ACIDS ROCHE MOLECULAR SYSTEMS, INC. 2016-05-19 US claimed
US-20230020319-A1 COMPOSITIONS AND METHODS FOR OPTOCHEMICAL CONTROL OF MTOR SIGNALING AND MTOR-DEPENDENT AUTOPHAGY THE UNIVERSITY OF HONG KONG (HK) 2023-01-19 US disclosed
CN-115531535-A Compositions and methods for photochemical control of mTOR signaling and mTOR-dependent autophagy 香港大学 2022-12-30 CN disclosed
CN-107353217-A A kind of preparation method of Anthranilate and amides compound 华南理工大学 2017-11-17 CN disclosed
EP-3221328-A1 PHOTOBLOCKED PROBES AND METHODS FOR SEQUENTIAL DETECTION OF NUCLEIC ACIDS Roche Diagnostics GmbH (DE) 2017-09-27 EP disclosed
US-9745618-B2 Photoblocked probes and methods for sequential detection of nucleic acids ROCHE MOLECULAR SYSTEMS, INC. (US) 2017-08-29 US disclosed
WO-2016079078-A1 PHOTOBLOCKED PROBES AND METHODS FOR SEQUENTIAL DETECTION OF NUCLEIC ACIDS ROCHE DIAGNOSTICS GMBH (DE) 2016-05-26 WO disclosed
US-20160138092-A1 PHOTOBLOCKED PROBES AND METHODS FOR SEQUENTIAL DETECTION OF NUCLEIC ACIDS ROCHE MOLECULAR SYSTEMS, INC. 2016-05-19 US disclosed
CN-1863781-A 2- (quinoxalin-5-ylsulfonamido) -benzamide compounds as cholecystokinin 2 modulators JANSSEN PHARMACEUTICA NV (BE) 2006-11-15 CN disclosed
CN-1829704-A Benzo [1,2,5] thiadiazole compounds as CCK2 modulators JANSSEN PHARMACEUTICA NV (BE) 2006-09-06 CN disclosed
US-4980096-A Protective coatings; adhesives MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-12-25 US disclosed
US-4740600-A UNBLOCKING WITH ACTINIC RADIATION; PROTECTIVE COATING; THERMOPLASTIC RESIN MIXTURES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-04-26 US disclosed
US-4599273-A PROTECTIVE COATINGS, PRESSURE SENSITIVE ADHESIVES MINNESOTA MINING AND MANUFACTURING CO. (US) 1986-07-08 US disclosed
US-4478967-A Photolabile blocked surfactants and compositions containing the same MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-10-23 US disclosed
EP-0046083-A2 Photolabile blocked surfactants and compositions containing the same MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-02-17 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-20230020319-A1 COMPOSITIONS AND METHODS FOR OPTOCHEMICAL CONTROL OF MTOR SIGNALING AND MTOR-DEPENDENT AUTOPHAGY MTOR, RICTOR, SQSTM1 S100A4 4087/4885TRPV1 3325/4885ERN1 2392/4885

“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.