SCHEMBL2387154

SCHEMBL2387154

O=[N+]([O-])c1cccc2c1[N]CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TDP1 Q9NUW8 3/20 0.50
CYP3A4 P08684 2/20 0.50
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 1/20 0.50
TXNRD1 Q16881 1/20 0.46
TXNRD3 Q86VQ6 1/20 0.46
TXNRD2 Q9NNW7 1/20 0.46
GPR35 Q9HC97 1/20 0.44
ACHE P22303 1/20 0.44
POLB P06746 1/20 0.42
NOS1 P29475 2/20 0.41
PNMT P11086 1/20 0.41
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK10 P53779 1/20 0.40
RIPK1 Q13546 1/20 0.40
MAPT P10636 2/20 0.40
PDE10A Q9Y233 1/20 0.40
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL1525254 0.89 ALDH1A1 (0.47) ALDH1A1TDP1CYP3A4ALOX15HSD17B10
SCHEMBL30872001 0.76 ALDH1A1 (0.49) ALDH1A1TDP1CYP3A4ALOX15HSD17B10
SCHEMBL29216432 0.76 ALDH1A1 (0.49) ALDH1A1TDP1CYP3A4ALOX15HSD17B10
SCHEMBL3651045 0.75 TXNRD1 (0.42) ALDH1A1TDP1CYP3A4ALOX15HSD17B10
SCHEMBL28260841 0.74 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4ALOX15HSD17B10
SCHEMBL28866740 0.71 ACHE (0.45) ALDH1A1TDP1CYP3A4ALOX15HSD17B10
SCHEMBL9404818 0.68 BCL2L1 (0.42) ALDH1A1TDP1CYP3A4ALOX15HSD17B10
SCHEMBL5542606 0.68 PNMT (0.33) NOS1PNMTNOS2
SCHEMBL1936960 0.68 CYP1A2 (0.44) ALDH1A1TDP1CYP3A4ACHEPOLB
SCHEMBL5543201 0.68 DRD2 (0.35) NOS1MAPK10RIPK1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11531207-B2 Devices, apparatus and method for providing photostimulation and imaging of structures THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2022-12-20 US disclosed
US-20180173004-A1 DEVICES, APPARATUS AND METHOD FOR PROVIDING PHOTOSTIMULATION AND IMAGING OF STRUCTURES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2018-06-21 US disclosed
US-9846313-B2 Devices, apparatus and method for providing photostimulation and imaging of structures THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-12-19 US disclosed
US-9625448-B2 Double caged GABA compounds, bis-CNB-GABA THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-04-18 US disclosed
US-9161931-B2 Dithiol compounds and treatment of presbyopia using said compounds ENCORE HEALTH, LLC (US) 2015-10-20 US disclosed
US-20150266809-A1 DOUBLE CAGED GABA COMPOUNDS, BIS-CNB-GABA THE TRUSTEES OF PRINCETON UNIVERSITY 2015-09-24 US disclosed
US-20140243385-A1 Dithiol Compounds, Derivatives, and Uses Therefor ENCORE HEALTH, LLC (US) 2014-08-28 US disclosed
US-8697109-B2 Caged mercaptan and seleno-mercaptan compounds and methods of using them ENCORE HEALTH, LLC (US) 2014-04-15 US disclosed
US-8642785-B2 Photolabile dinitroindolinyl based compounds PHILADELPHIA HEALTH & EDUCATION CORPORATION (US) 2014-02-04 US disclosed
US-20110233046-A1 DEVICES, APPARATUS AND METHOD FOR PROVIDING PHOTOSTIMULATION AND IMAGING OF STRUCTURES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-09-29 US 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
EP-0046028-B1 IMAGING PROCESS AND ARTICLE EMPLOYING PHOTOLABILE, BLOCKED SURFACTANT MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1986-05-07 EP disclosed
EP-0046083-B1 PHOTOLABILE BLOCKED SURFACTANTS AND COMPOSITIONS CONTAINING THE SAME MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-10-16 EP disclosed
US-4478967-A Photolabile blocked surfactants and compositions containing the same MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-10-23 US disclosed
US-4467022-A Imaging process and article employing photolabile, blocked surfactant MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-08-21 US disclosed
US-4369244-A ACTINIC RADIATION FILM MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1983-01-18 US disclosed
EP-0046028-A2 Imaging process and article employing photolabile, blocked surfactant MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-02-17 EP 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 (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-20150266809-A1 DOUBLE CAGED GABA COMPOUNDS, BIS-CNB-GABA GABRB2, GABRB3, GABRB1 ALDH1A1 2034/4885TDP1 2962/4885CYP3A4 1630/4885
US-20140243385-A1 Dithiol Compounds, Derivatives, and Uses Therefor TST, TXNRD3, CTH ALDH1A1 528/4885TDP1 1101/4885CYP3A4 2295/4885

“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.