SCHEMBL3366646

SCHEMBL3366646

Cc1cc(C)cc(C(=O)NCc2ccccn2)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.67
KDM4E B2RXH2 2/20 0.66
RAB9A P51151 4/20 0.63
NPC1 O15118 3/20 0.63
LMNA P02545 2/20 0.63
POLB P06746 1/20 0.63
MEN1 O00255 3/20 0.63
HPGD P15428 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.59
MAPK14 Q16539 1/20 0.59
HSD17B10 Q99714 1/20 0.59
GAA P10253 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
CA2 P00918 1/20 0.58
ALDH1A1 P00352 1/20 0.58
HTT P42858 1/20 0.58
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57

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
SCHEMBL11722616 0.89 KDM4E (0.67) KMT2AKDM4ERAB9ANPC1LMNA
SCHEMBL13102332 0.87 RAB9A (0.74) KMT2AKDM4ERAB9ANPC1LMNA
SCHEMBL30287914 0.87 RAB9A (0.74) KMT2AKDM4ERAB9ANPC1LMNA
SCHEMBL3895623 0.86 KDM4E (0.67) KMT2AKDM4ERAB9ANPC1LMNA
SCHEMBL13947279 0.83 KDM4E (0.79) KMT2AKDM4ERAB9ANPC1LMNA
SCHEMBL166484 0.83 LMNA (0.82) KMT2AKDM4ERAB9ANPC1LMNA
Hydrochloric Acid SCHEMBL27843329 0.81 LMNA (0.80) KMT2AKDM4ERAB9ANPC1LMNA
SCHEMBL26704054 0.81 ADORA2A (0.66) KMT2AKDM4ERAB9ANPC1LMNA
SCHEMBL30602600 0.81 SMN1; SMN2 (0.76) KMT2AKDM4ERAB9ANPC1LMNA
SCHEMBL243740 0.81 SMN1; SMN2 (0.76) KMT2AKDM4ERAB9ANPC1LMNA

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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 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 (2 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A KMT2A 1108/4885KDM4E 192/4885RAB9A 4036/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 KMT2A 2353/4885KDM4E 861/4885RAB9A 3292/4885

“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.