SCHEMBL2416189

SCHEMBL2416189

NC(=O)C(c1ccccc1)(c1nccs1)C(Cl)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
ACP1 P24666 1/20 0.36
CTSA P10619 3/20 0.35
PGR P06401 2/20 0.35
AR P10275 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC22A2 O15244 1/20 0.33

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
SCHEMBL662586 0.83 CYP2D6 (0.43) NR3C1NPC1RAB9ALMNATSHR
SCHEMBL2416183 0.75 MEN1 (0.36) NR3C1NPC1RAB9ALMNATSHR
SCHEMBL1458946 0.72 KMT2A (0.46) NR3C1NPC1RAB9ACTSAPGR
SCHEMBL662298 0.72 NR1H2 (0.41) NPC1RAB9ALMNACYP1A2SMN1; SMN2
SCHEMBL17439469 0.72 KMT2A (0.46) LMNATSHRPGRCYP3A4CYP2D6
SCHEMBL666273 0.69 RAB9A (0.38) NR3C1NPC1RAB9ALMNACYP1A2
SCHEMBL666600 0.69 KMT2A (0.39) NR3C1NPC1RAB9AMEN1KMT2A
SCHEMBL667451 0.69 KMT2A (0.38) NR3C1LMNATSHRCTSAPGR
SCHEMBL2416179 0.69 NR3C1 (0.43) NR3C1CTSAPGRARCYP1A2
SCHEMBL15676591 0.69 CYP1A2 (0.56) NR3C1NPC1RAB9ALMNACYP1A2

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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC NR3C1 1595/4885NPC1 28/4885RAB9A 1681/4885

“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.