SCHEMBL412066

SCHEMBL412066

CC(C)c1cc(CNC(=O)c2ccc(OCC(F)(F)F)c(-c3ccc(Cl)cc3)n2)on1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.42
GABRA5 P31644 1/20 0.42
SLC5A7 Q9GZV3 7/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
JAK2 O60674 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.38
CTSA P10619 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
SCHEMBL31267275 1.00 NPC1 (0.56) NPC1RAB9ALMNAPOLBGABRA5
SCHEMBL411124 0.87 NPC1 (0.49) NPC1RAB9ALMNAPOLBGABRA5
SCHEMBL412268 0.85 RHOC (0.41) NPC1RAB9APOLBSMN1; SMN2ALDH1A1
SCHEMBL410643 0.85 CNR2 (0.43) NPC1RAB9ALMNAPOLBSMN1; SMN2
SCHEMBL412341 0.85 NPC1 (0.53) NPC1RAB9ALMNAPOLBGABRA5
SCHEMBL16927382 0.83 RAB9A (0.46) NPC1RAB9ALMNAPOLBGABRA5
SCHEMBL412251 0.81 NPC1 (0.53) NPC1RAB9ALMNAPOLBGABRA5
SCHEMBL438387 0.80 MAPT (0.45) GABRA5TP53MAPTCTSA
SCHEMBL412285 0.75 POLB (0.41) NPC1RAB9ALMNAPOLBGABRA5
SCHEMBL411012 0.74 MRGPRX4 (0.52) NPC1RAB9ASMN1; SMN2L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US claimed
US-20210275514-A1 COMPOUNDS FOR USE IN TREATING KIDNEY DISORDERS HOFFMANN LA ROCHE (US) 2021-09-09 US disclosed
US-20200085810-A1 COMPOUNDS FOR USE IN TREATING KIDNEY DISORDERS HOFFMANN-LA ROCHE INC. 2020-03-19 US disclosed
WO-2020021097-A1 COMPOUNDS FOR USE IN TREATING KIDNEY DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2020-01-30 WO disclosed
EP-2613785-B1 HETEROARYLMETHYL AMIDES HOFFMANN LA ROCHE (CH) 2015-07-29 EP disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 US disclosed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 US disclosed
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 US disclosed
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 US disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 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 (4 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-20140194436-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR NPC1 16/4885RAB9A 840/4885LMNA 886/4885
US-20210275514-A1 COMPOUNDS FOR USE IN TREATING KIDNEY DISORDERS GLS, ATP6V1B1, PLAAT2 NPC1 23/4885RAB9A 648/4885LMNA 1133/4885
US-20200085810-A1 COMPOUNDS FOR USE IN TREATING KIDNEY DISORDERS GLS, ATP6V1B1, PLAAT2 NPC1 23/4885RAB9A 648/4885LMNA 1133/4885
US-20120065212-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR NPC1 16/4885RAB9A 840/4885LMNA 886/4885

“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.