SCHEMBL13305160

SCHEMBL13305160

CCN(CC)CCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.71
MAPK1 P28482 5/20 0.71
CYP1A2 P05177 4/20 0.71
CYP2D6 P10635 4/20 0.71
ABCB1 P08183 3/20 0.71
HTR1A P08908 3/20 0.71
ADRA2A P08913 3/20 0.71
ADORA3 P0DMS8 3/20 0.71
CHRM1 P11229 3/20 0.71
DRD1 P21728 3/20 0.71
SLC6A2 P23975 3/20 0.71
SLC6A4 P31645 3/20 0.71
ADRA1A P35348 3/20 0.71
DRD3 P35462 3/20 0.71
THPO P40225 3/20 0.71
MTOR P42345 3/20 0.71
SLC6A3 Q01959 3/20 0.71
KCNH2 Q12809 3/20 0.71
ABCB11 O95342 3/20 0.71
NPC1 O15118 2/20 0.71

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
SCHEMBL13305285 0.93 TP53 (0.79) TP53MAPK1CYP1A2CYP2D6ABCB1
SCHEMBL7348765 0.92 FPR2 (0.77) TP53MAPK1CYP1A2CYP2D6ABCB1
SCHEMBL23353456 0.88 FPR2 (0.77) TP53MAPK1CYP1A2CYP2D6ABCB1
SCHEMBL7346761 0.88 TP53 (0.86) TP53MAPK1CYP1A2CYP2D6ABCB1
SCHEMBL23353458 0.86 FPR2 (0.77) TP53MAPK1CYP1A2CYP2D6ABCB1
SCHEMBL24224669 0.86 TP53 (0.71) TP53MAPK1CYP1A2CYP2D6ABCB1
SCHEMBL7346708 0.86 TP53 (0.57) TP53MAPK1CYP1A2CYP2D6ABCB1
Diethazine SCHEMBL142924 0.84 POLB (0.83) TP53MAPK1CYP1A2CYP2D6HTR1A
Diethazine SCHEMBL30592079 0.84 POLB (0.83) TP53MAPK1CYP1A2CYP2D6HTR1A
SCHEMBL21445198 0.83 TP53 (0.67) TP53MAPK1CYP1A2CYP2D6ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012217-B2 Benzimidazole compounds differentiate a mammalian stem cell into mesodermal or cardiomyocyte cells BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2015-04-21 US disclosed
US-9012217-B2 Benzimidazole compounds differentiate a mammalian stem cell into mesodermal or cardiomyocyte cells BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2015-04-21 US disclosed
US-20100159596-A1 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-06-24 US disclosed
US-20100159596-A1 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-06-24 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-20100159596-A1 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION RCOR3, BRD3, BRPF3 TP53 199/4885MAPK1 1810/4885CYP1A2 2498/4885

“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.