SCHEMBL14600784

SCHEMBL14600784

COc1cc(-c2nc(C)no2)c([N+](=O)[O-])cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
HPGD P15428 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 4/20 0.49
POLB P06746 4/20 0.49
S1PR1 P21453 2/20 0.47
MAPT P10636 6/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
PRKDC P78527 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.41
RXFP1 Q9HBX9 2/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL7371659 0.78 POLB (0.57) HPGDTP53POLBS1PR1MAPT
SCHEMBL12947833 0.76 SMN1; SMN2 (0.46) NPC1HPGDRAB9ASMN1; SMN2POLB
SCHEMBL14600785 0.75 S1PR1 (0.44) NPC1HPGDRAB9ASMN1; SMN2TP53
SCHEMBL6367373 0.74 MAPT (0.59) NPC1HPGDRAB9ASMN1; SMN2TP53
SCHEMBL21958463 0.73 S1PR1 (0.42) NPC1HPGDRAB9ASMN1; SMN2TP53
SCHEMBL999459 0.72 ALDH1A1 (0.43) NPC1HPGDRAB9ASMN1; SMN2POLB
SCHEMBL3053830 0.71 NPC1 (0.55) NPC1HPGDRAB9ASMN1; SMN2TP53
SCHEMBL29800558 0.71 ALDH1A1 (0.68) NPC1RAB9ASMN1; SMN2POLBMAPT
SCHEMBL210330 0.71 ALDH1A1 (0.68) NPC1RAB9ASMN1; SMN2POLBMAPT
SCHEMBL8122030 0.70 TDP1 (0.51) NPC1HPGDRAB9ASMN1; SMN2TP53

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-20070004784-A1 Sulfonamides as potassium channel blockers ICAGEN, INC. (US) 2007-01-04 US disclosed
US-20070004784-A1 Sulfonamides as potassium channel blockers ICAGEN, INC. (US) 2007-01-04 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-20070004784-A1 Sulfonamides as potassium channel blockers KCNJ2, KCNJ1, KCNJ11 NPC1 1095/4885HPGD 2145/4885RAB9A 2343/4885

“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.