SCHEMBL4201045

SCHEMBL4201045

O=c1c2sccc2nc(-c2ccc(F)cc2)n1NCc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.52
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 3/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 3/20 0.41
ALDH1A1 P00352 5/20 0.41
HTT P42858 1/20 0.41
NR1I3 Q14994 1/20 0.40
USP2 O75604 4/20 0.39
CYP1A2 P05177 4/20 0.39
CYP3A4 P08684 4/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39

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
SCHEMBL4201369 0.89 SMN1; SMN2 (0.44) RXFP1SMN1; SMN2TP53MEN1KMT2A
SCHEMBL4202606 0.89 NR1I3 (0.43) RXFP1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL4194208 0.83 SMN1; SMN2 (0.46) RXFP1POLBSMN1; SMN2TP53MEN1
SCHEMBL4237651 0.81 SMN1; SMN2 (0.67) POLBSMN1; SMN2TP53MEN1KMT2A
SCHEMBL4233295 0.81 SMN1; SMN2 (0.53) POLBSMN1; SMN2TP53MEN1KMT2A
SCHEMBL4188977 0.79 MAPT (0.48) RXFP1POLBSMN1; SMN2TP53MEN1
SCHEMBL4193513 0.78 SMN1; SMN2 (0.50) POLBSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4237411 0.77 SMN1; SMN2 (0.54) POLBSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4338997 0.77 BRD4 (0.46) POLBSMN1; SMN2TP53MEN1KMT2A
SCHEMBL4194181 0.75 ALDH1A1 (0.41) POLBSMN1; SMN2TP53MEN1KMT2A

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-20090105124-A1 HETEROCYCLIC MODULATORS OF TGR5 KALYPSYS, INC. (US) 2009-04-23 US disclosed
US-20090105124-A1 HETEROCYCLIC MODULATORS OF TGR5 KALYPSYS, INC. (US) 2009-04-23 US disclosed
US-20090105124-A1 HETEROCYCLIC MODULATORS OF TGR5 KALYPSYS, INC. (US) 2009-04-23 US disclosed
WO-2009026241-A1 HETEROCYCLIC MODULATORS OF TGR5 KALYPSYS, INC. (US) 2009-02-26 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-20090105124-A1 HETEROCYCLIC MODULATORS OF TGR5 GPBAR1, GPR119, GRK5 RXFP1 850/4885POLB 4715/4885SMN1; SMN2 3183/4885

“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.