SCHEMBL3595614

SCHEMBL3595614

O=C(OC1(C(=O)Nc2nccs2)CC1c1ccc(-c2ccc(F)cc2)nc1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
NR3C1 P04150 5/20 0.35
HTT P42858 2/20 0.35
ESR1 P03372 1/20 0.35
PGR P06401 1/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL3601571 0.82 NPC1 (0.36) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL3610730 0.80 NPC1 (0.39) NPC1ALDH1A1L3MBTL1HPGDPTPN1
Trifluoroacetic Acid SCHEMBL3595613 0.74 SCN3A (0.48) NPC1RAB9AALDH1A1SMN1; SMN2GAA
Trifluoroacetic Acid SCHEMBL3595610 0.74 SCN3A (0.48) NPC1RAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL8465483 0.73 SCN3A (0.50) NPC1RAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL3606263 0.71 TP53 (0.31) NPC1TP53
SCHEMBL3179680 0.70 SMN1; SMN2 (0.42) NPC1RAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL3180774 0.70 NPC1 (0.45) NPC1RAB9AALDH1A1SMN1; SMN2GAA
Trifluoroacetic Acid SCHEMBL3180765 0.68 NPC1 (0.67) NPC1RAB9AALDH1A1SMN1; SMN2GAA
Trifluoroacetic Acid SCHEMBL3179670 0.67 NPC1 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121612-B1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2014-10-01 EP disclosed
US-8299102-B2 Heteroarylcyclopropanecarboxamides and their use as pharmaceuticals SANOFI (FR) 2012-10-30 US disclosed
US-20100016278-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
EP-2121612-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2009-11-25 EP disclosed
WO-2008080511-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2008-07-10 WO disclosed
EP-1942104-A1 Heteroarylcyclopropanecarboxamides and their use as pharmaceuticals sanofi-aventis (FR) 2008-07-09 EP 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-20100016278-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS PTGIS, TBXAS1, EDNRA NPC1 3008/4885RAB9A 2908/4885ALDH1A1 3405/4885

“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.