SCHEMBL13700976

SCHEMBL13700976

O=c1oc(-c2cccs2)nc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.66
MEN1 O00255 6/20 0.66
KMT2A Q03164 6/20 0.66
KDM4E B2RXH2 5/20 0.66
HPGD P15428 3/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2C19 P33261 1/20 0.66
SMN1; SMN2 Q16637 3/20 0.62
F2 P00734 1/20 0.62
MAPT P10636 5/20 0.57
GAA P10253 2/20 0.57
HSD17B10 Q99714 2/20 0.57
MAPK1 P28482 1/20 0.57
APEX1 P27695 1/20 0.57
RAB9A P51151 4/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
ELANE P08246 1/20 0.52
NPC1 O15118 3/20 0.50
F7 P08709 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
SCHEMBL12758430 0.85 APEX1 (0.61) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL11767064 0.84 RAB9A (0.64) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL2245362 0.81 RAB9A (0.64) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL6563905 0.80 RAB9A (0.78) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL913449 0.80 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL13701234 0.80 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL913374 0.77 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL6565102 0.77 RAB9A (0.69) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL8070379 0.77 KDM4E (0.75) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL913408 0.77 F7 (0.82) ALDH1A1MEN1KMT2ASMN1; SMN2F2

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-20090239982-A1 Ultraviolet Absorbent and Heterocyclic Compound FUJIFILM CORPORATION (JP) 2009-09-24 US disclosed
US-20090239982-A1 Ultraviolet Absorbent and Heterocyclic Compound FUJIFILM CORPORATION (JP) 2009-09-24 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 (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-20090239982-A1 Ultraviolet Absorbent and Heterocyclic Compound CYP2A6, CYP2B6, XPO6 ALDH1A1 1360/4885MEN1 1907/4885KMT2A 2903/4885

“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.