SCHEMBL21102461

SCHEMBL21102461

C/C=C/N=N/c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 4/20 0.40
MAPK1 P28482 4/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 7/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
PKM P14618 2/20 0.39
HTT P42858 1/20 0.39
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
TRPA1 O75762 2/20 0.35
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CASP3 P42574 2/20 0.34

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
SCHEMBL12202832 0.79 NPC1 (0.41) ALDH1A1TDP1MAPK1MAPTKMT2A
SCHEMBL10614068 0.74 ALDH1A1 (0.61) ALDH1A1TDP1MAPK1TSHRHSD17B10
Azobenzene SCHEMBL28147224 0.72 ALDH1A1 (0.67) ALDH1A1TDP1MAPK1TSHRHSD17B10
SCHEMBL3312603 0.72 ALDH1A1 (0.58) ALDH1A1TDP1MAPK1TSHRHSD17B10
SCHEMBL3312600 0.72 ALDH1A1 (0.58) ALDH1A1TDP1MAPK1TSHRHSD17B10
Bromide SCHEMBL7592896 0.71 ALDH1A1 (0.44) ALDH1A1TDP1MAPK1TSHRHSD17B10
SCHEMBL509329 0.71 TRPA1 (0.45) ALDH1A1TDP1MAPK1MAPTKMT2A
Hydrochloric Acid SCHEMBL7593693 0.71 ALDH1A1 (0.44) ALDH1A1TDP1MAPK1TSHRMAPT
SCHEMBL24463678 0.71 CYP2C9 (0.41) ALDH1A1TDP1MAPK1TSHRMAPT
SCHEMBL3078252 0.70 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1TSHRHSD17B10

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-10322999-B2 Oxindoles derivatives, preparation method thereof and pharmaceutical compositions for the prevention or treatment of cancer containing the same as an active ingredient Research & Business Foundation Sungkyunkwan University (KR) 2019-06-18 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-10322999-B2 Oxindoles derivatives, preparation method thereof and pharmaceutical compositions for the prevention or treatment of cancer containing the same as an active ingredient ODC1, CCNI, CYP3A5 ALDH1A1 884/4885TDP1 3472/4885MAPK1 4325/4885

“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.