SCHEMBL4304473

SCHEMBL4304473

NC(=O)OC(Cn1nccn1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CYP19A1 P11511 1/20 0.37
RAB9A P51151 2/20 0.37
TGM2 P21980 1/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
SCN4A P35499 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
KLF5 Q13887 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4313108 0.85 TSHR (0.35) TSHRALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL6923835 0.83 TSHR (0.39) TSHRALDH1A1NPC1SMN1; SMN2CYP19A1
SCHEMBL4310334 0.81 PTGS2 (0.39) CYP19A1KMT2A
SCHEMBL13667412 0.81 CYP1A2 (0.38) TSHRLMNAKMT2A
SCHEMBL4307811 0.81 ADRB1 (0.44)
SCHEMBL4316364 0.80 ADRB1 (0.47) CA1CA2KMT2A
SCHEMBL28693817 0.78 GSK3B (0.45) TSHRALDH1A1NPC1LMNAMAPT
SCHEMBL13667414 0.75 TNF (0.38) ALDH1A1SMN1; SMN2LMNA
SCHEMBL4309952 0.75 IDO1 (0.35)
SCHEMBL6682451 0.74 KMT2A (0.47) ALDH1A1NPC1SMN1; SMN2RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879873-B1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK BIOPHARMACEUTICALS CO LTD (KR) 2013-10-09 EP disclosed
US-7598279-B2 Neurotherapeutic azole compounds SK HOLDINGS CO., LTD. (KR) 2009-10-06 US disclosed
US-7598279-B2 Neurotherapeutic azole compounds SK HOLDINGS CO., LTD. (KR) 2009-10-06 US disclosed
EP-1879873-A1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK Holdings Co., Ltd. (KR) 2008-01-23 EP disclosed
US-20060258718-A1 Neurotherapeutic azole compounds SK BIOPHARMACEUTICALS CO., LTD. (KR) 2006-11-16 US disclosed
WO-2006112685-A1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK HOLDINGS CO., LTD. (KR) 2006-10-26 WO 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-20060258718-A1 Neurotherapeutic azole compounds CHRNA10, CHRNA4, CHRNA3 TSHR 2776/4885ALDH1A1 1039/4885NPC1 571/4885

“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.