SCHEMBL4550413

SCHEMBL4550413

CC(N)c1cccc(OC(F)(F)C(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CETP P11597 6/20 0.44
DUT P33316 1/20 0.40
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
ABL1 P00519 2/20 0.38
BCR P11274 2/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PRKCA P17252 1/20 0.36
EPHX2 P34913 1/20 0.36

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
Hydrochloric Acid SCHEMBL2714066 0.98 CETP (0.43) CETPDUTPIM1PIM2LMNA
SCHEMBL2715618 0.86 SLC6A2 (0.43)
SCHEMBL1728892 0.86 SLC6A2 (0.43)
SCHEMBL1727565 0.86 SLC6A2 (0.43)
SCHEMBL12868104 0.86 CETP (0.54) CETPDUTPIM1PIM2LMNA
SCHEMBL10684647 0.86 PIM1 (0.41) CETPDUTPIM1PIM2LMNA
Hydrochloric Acid SCHEMBL2719228 0.85 SLC6A2 (0.44)
Hydrochloric Acid SCHEMBL14737983 0.85 SLC6A2 (0.44)
Hydrochloric Acid SCHEMBL16989095 0.85 SLC6A2 (0.44)
SCHEMBL16233093 0.83 DUT (0.40) DUT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 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-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A CETP 3915/4885DUT 1314/4885PIM1 4838/4885

“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.