SCHEMBL18872129

SCHEMBL18872129

COc1ccc(-c2sc3ccccc3c2[N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 4/20 0.56
L3MBTL1 Q9Y468 4/20 0.56
TDP1 Q9NUW8 4/20 0.56
CNR1 P21554 2/20 0.56
CNR2 P34972 2/20 0.56
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 3/20 0.50
HPGD P15428 2/20 0.50
NPC1 O15118 2/20 0.50
ALDH1A1 P00352 2/20 0.50
RAB9A P51151 2/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
MAPK1 P28482 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 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
SCHEMBL18859795 0.84 HPRT1 (0.47) ATML3MBTL1TDP1CNR1CNR2
SCHEMBL18804144 0.84 L3MBTL1 (0.47) L3MBTL1TDP1MEN1KMT2AMAPT
SCHEMBL21797207 0.76 MAPT (0.50) ATML3MBTL1TDP1CNR1CNR2
SCHEMBL18805459 0.76 LMNA (0.38) ATML3MBTL1TDP1CNR1CNR2
SCHEMBL6597757 0.75 L3MBTL1 (0.59) ATML3MBTL1TDP1CNR1CNR2
SCHEMBL28515985 0.75 TDP1 (0.59) ATML3MBTL1TDP1CNR1CNR2
SCHEMBL6808979 0.75 ATM (0.59) ATML3MBTL1TDP1CNR1CNR2
SCHEMBL18805451 0.75 MAPT (0.41) ATML3MBTL1TDP1CNR1CNR2
SCHEMBL8017126 0.74 CNR2 (0.89) ATML3MBTL1TDP1CNR1CNR2
SCHEMBL8017131 0.74 HSP90AA1 (0.63) ATML3MBTL1TDP1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170141325-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2017-05-18 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-20170141325-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, CRY2, CYBA ATM 3643/4885L3MBTL1 818/4885TDP1 3485/4885

“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.