SCHEMBL13256337

SCHEMBL13256337

N=C(N)NC(=N)SCc1ccc(F)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 8/20 0.50
HTT P42858 4/20 0.50
ALOX15 P16050 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 4/20 0.42
TAAR1 Q96RJ0 2/20 0.42
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
CYP1A2 P05177 3/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.37
PRMT1 Q99873 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL13256339 0.85 IDO1 (0.40) IDO1HTTSMN1; SMN2MAPTKDM4E
SCHEMBL13256341 0.85 IDO1 (0.69) IDO1HTTALOX15SMN1; SMN2LMNA
SCHEMBL13256328 0.83 IDO1 (0.71) IDO1HTTALOX15CRHBPCRHR2
SCHEMBL13256346 0.77 IDO1 (0.53) IDO1HTTALOX15SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL3393753 0.76 IDO1 (0.49) IDO1HTTALOX15CRHBPCRHR2
SCHEMBL13256352 0.74 IDO1 (0.51) IDO1MAPTBACE1
SCHEMBL13256320 0.73 CRHBP (0.43) IDO1HTTCRHBPCRHR2SMN1; SMN2
SCHEMBL13256348 0.71 BACE1 (0.71) IDO1HTTHSD17B10SMN1; SMN2LMNA
SCHEMBL13283510 0.71 IDO1 (0.47) IDO1HTTALOX15SMN1; SMN2LMNA
SCHEMBL21142097 0.71 SMN1; SMN2 (0.47) IDO1HTTALOX15CRHBPCRHR2

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 IDO1 4276/4885HTT 3856/4885ALOX15 3512/4885

“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.