SCHEMBL13256342

SCHEMBL13256342

N=C(N)NC(=N)SCc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.47
HPGD P15428 5/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C9 P11712 2/20 0.47
ALOX15 P16050 1/20 0.47
IDO1 P14902 2/20 0.45
HTT P42858 2/20 0.45
PDE7A Q13946 4/20 0.40
PDE7B Q9NP56 1/20 0.40
KCNMA1 Q12791 1/20 0.40
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
ACLY P53396 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL13256322 0.85 IDO1 (0.61) CYP1A2HPGDCYP2D6CYP2C9ALOX15
SCHEMBL13256341 0.80 IDO1 (0.69) CYP1A2HPGDCYP2D6CYP2C9ALOX15
Hydrochloric Acid SCHEMBL3393491 0.79 CYP1A2 (0.46) CYP1A2HPGDCYP2D6CYP2C9ALOX15
SCHEMBL13256346 0.77 IDO1 (0.53) CYP1A2HPGDCYP2D6CYP2C9ALOX15
SCHEMBL13283510 0.77 IDO1 (0.47) CYP1A2HPGDCYP2D6CYP2C9ALOX15
SCHEMBL5149992 0.72 MAPK1 (0.52) CYP1A2HPGDPDE7APDE7BMAPT
SCHEMBL28263084 0.71 NPC1 (0.51) CYP1A2HPGDPDE7APDE7BKCNMA1
SCHEMBL3776333 0.70 IDO1 (0.63) CYP1A2HPGDCYP2D6CYP2C9ALOX15
SCHEMBL67536 0.70 MAPK1 (0.53) CYP1A2HPGDPDE7APDE7BMAPT
SCHEMBL535352 0.70 MAPK1 (0.53) CYP1A2HPGDPDE7APDE7BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184851-A1 INHIBITION OF CELL PROLIFERATION UNIVERSITY OF SOUTH FLORIDA (US) 2010-07-22 US disclosed
US-20100184851-A1 INHIBITION OF CELL PROLIFERATION UNIVERSITY OF SOUTH FLORIDA (US) 2010-07-22 US disclosed
WO-2010025448-A2 INHIBITION OF CELL PROLIFERATION UNIVERSITY OF SOUTH FLORIDA (US) 2010-03-04 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-20100184851-A1 INHIBITION OF CELL PROLIFERATION MKI67, RB1, RAF1 CYP1A2 3630/4885HPGD 2694/4885CYP2D6 3598/4885

“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.