SCHEMBL13256341

SCHEMBL13256341

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

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 13/20 0.69
HTT P42858 4/20 0.69
CYP1A2 P05177 3/20 0.50
CYP2C9 P11712 2/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP2D6 P10635 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
EPHX1 P07099 2/20 0.45
PRMT1 Q99873 1/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TAAR1 Q96RJ0 2/20 0.44

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
SCHEMBL13256346 0.88 IDO1 (0.53) IDO1HTTCYP1A2CYP2C9CYP3A4
SCHEMBL13256337 0.85 IDO1 (0.50) IDO1HTTCYP1A2CYP2C9CYP2C19
SCHEMBL3767736 0.82 IDO1 (1.00) IDO1HTTCYP1A2CYP2C9CYP3A4
SCHEMBL13283510 0.82 IDO1 (0.47) IDO1HTTCYP1A2CYP2C9CYP2D6
SCHEMBL14531235 0.81 IDO1 (0.64) IDO1HTTCYP1A2CYP2C9CYP3A4
SCHEMBL13256342 0.80 CYP1A2 (0.47) IDO1HTTCYP1A2CYP2C9CYP3A4
SCHEMBL15457410 0.76 IDO1 (0.70) IDO1HTTCYP1A2CYP2C9CYP3A4
SCHEMBL13256320 0.75 CRHBP (0.43) IDO1HTTCYP1A2CYP2C9CYP3A4
Hydrochloric Acid SCHEMBL3421387 0.75 IDO1 (0.68) IDO1HTTCYP1A2CYP2C9CYP3A4
SCHEMBL9843530 0.74 HTT (0.50) IDO1HTTMAPK1HPGDALDH1A1

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 3856/4885CYP1A2 3630/4885

“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.