SCHEMBL31361752

SCHEMBL31361752

O=c1[nH]cc([N+](=O)[O-])c2sc(-c3ccc(OCCN4CCOCC4)cc3)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CDK2 P24941 2/20 0.44
GSK3B P49841 2/20 0.44
PRKAB2 O43741 3/20 0.43
PRKAG1 P54619 3/20 0.43
PRKAA2 P54646 3/20 0.43
PRKAA1 Q13131 3/20 0.43
PRKAG3 Q9UGI9 3/20 0.43
PRKAG2 Q9UGJ0 3/20 0.43
PRKAB1 Q9Y478 3/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL31361753 1.00 NPC1 (0.48) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL21963461 0.73 PTP4A3 (0.47) KDM4EALDH1A1CDK2GSK3B
SCHEMBL21963445 0.72 PTP4A3 (0.63) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL1663955 0.71 KDM4E (0.71) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL3569398 0.71 LTA4H (0.49) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL21963439 0.71 GSK3B (0.41) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL519451 0.70 LTA4H (0.71) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL214706 0.69 KDM4E (0.68) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL1605174 0.69 KDM4E (0.74) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL3381012 0.69 KDM4E (0.64) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12227515-B2 In-flow photooxygenation of aminothienopyridinones generates novel PTP4A3 phosphatase inhibitors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2025-02-18 US disclosed
US-12202839-B2 In-flow photooxygenation of aminothienopyridinones generates PTP4A3 phosphatase inhibitors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2025-01-21 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 (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-12202839-B2 In-flow photooxygenation of aminothienopyridinones generates PTP4A3 phosphatase inhibitors PTP4A3, PTPRO, PTPRC NPC1 4770/4885RAB9A 3263/4885KDM4E 176/4885
US-12227515-B2 In-flow photooxygenation of aminothienopyridinones generates novel PTP4A3 phosphatase inhibitors PTP4A3, PTPRC, PTPRF NPC1 4780/4885RAB9A 3218/4885KDM4E 241/4885

“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.