SCHEMBL3602270

SCHEMBL3602270

Cc1nn(Cc2ccc(Cl)c(Cl)c2)cc1C(=O)Nc1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.46
TMPRSS2 O15393 3/20 0.45
KDM1A O60341 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NOD1 Q9Y239 1/20 0.41
NR1H2 P55055 1/20 0.40
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
IGF1R P08069 1/20 0.38
NR1H4 Q96RI1 2/20 0.38
SCD5 Q86SK9 1/20 0.38
PLAU P00749 1/20 0.38
NR3C1 P04150 1/20 0.38

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
SCHEMBL13945301 0.86 KDM1A (0.52) ESR2TMPRSS2KDM1ANPC1RAB9A
SCHEMBL3606619 0.85 TMPRSS2 (0.49) ESR2TMPRSS2KDM1ANPC1RAB9A
SCHEMBL3600668 0.85 ESR2 (0.46) ESR2TMPRSS2NPC1RAB9ANOD1
SCHEMBL3596504 0.81 SMN1; SMN2 (0.57) ESR2TMPRSS2KDM1ANOD1MEN1
Hydrochloric Acid SCHEMBL3591953 0.78 USP28 (0.45) NPC1RAB9AMEN1KMT2ASCD5
SCHEMBL3728485 0.78 ESR2 (0.47) ESR2TMPRSS2KDM1ANPC1RAB9A
SCHEMBL3184449 0.77 PTGER1 (0.49) ESR2TMPRSS2KDM1ANOD1NR1H2
SCHEMBL6646767 0.76 ESR2 (0.55) ESR2TMPRSS2NPC1RAB9ANR1H2
SCHEMBL3603275 0.76 NAMPT (0.49) ESR2TMPRSS2KDM1ANPC1RAB9A
SCHEMBL13844972 0.75 SCD (0.51) ESR2KDM1AMEN1KMT2ASCD5

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-20100041696-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 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-20100041696-A1 Compounds CYP11B2, SCD, CYP3A5 ESR2 3025/4885TMPRSS2 2074/4885KDM1A 2299/4885

“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.