SCHEMBL4516088

SCHEMBL4516088

Cc1nsc(NC(=O)c2cc(COc3cc(Cl)ccc3Cl)ccn2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.48
THRB P10828 1/20 0.48
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
MAPT P10636 4/20 0.44
HPGD P15428 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
MRGPRX4 Q96LA9 2/20 0.43
ALDH1A1 P00352 5/20 0.42
TP53 P04637 2/20 0.42
SCD O00767 1/20 0.42
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
HDAC8 Q9BY41 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PLA2G1B P04054 1/20 0.40

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
SCHEMBL4507587 0.79 SMN1; SMN2 (0.59) SMN1; SMN2THRBNPC1RAB9AMAPT
SCHEMBL4491985 0.76 MRGPRX4 (0.62) SMN1; SMN2THRBNPC1RAB9AMAPT
SCHEMBL4492301 0.76 MRGPRX4 (0.50) SMN1; SMN2THRBNPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL4498398 0.74 SMN1; SMN2 (0.48) SMN1; SMN2THRBNPC1RAB9AMAPT
SCHEMBL4505147 0.70 SMN1; SMN2 (0.55) SMN1; SMN2THRBNPC1RAB9AMAPT
SCHEMBL4496717 0.70 MAPT (0.60) SMN1; SMN2MAPTMRGPRX4ALDH1A1SCD
SCHEMBL4516330 0.70 SCD (0.49) SMN1; SMN2THRBNPC1RAB9AMAPT
SCHEMBL27622288 0.70 NPC1 (0.59) SMN1; SMN2NPC1RAB9AMAPTTDP1
SCHEMBL4505841 0.69 MEN1 (0.43) SMN1; SMN2THRBNPC1RAB9AMAPT
SCHEMBL4506893 0.69 SMN1; SMN2 (0.68) SMN1; SMN2THRBNPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325956-A1 Aromatic amine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 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-20090325956-A1 Aromatic amine derivative and use thereof SCD, SCD5, SMS SMN1; SMN2 2075/4885THRB 2175/4885NPC1 57/4885

“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.