SCHEMBL10175550

SCHEMBL10175550

CCc1csc(-c2csc(C)n2)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
SREBF1 P36956 1/20 0.40
SREBF2 Q12772 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NPC1 O15118 3/20 0.39
GAA P10253 3/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 3/20 0.38
RECQL P46063 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.38
ESR2 Q92731 1/20 0.38
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL91500 0.82
Hydrochloric Acid SCHEMBL28061208 0.80
SCHEMBL10062532 0.80 RAB9A (0.48) RAB9ASMN1; SMN2KDM4EMAPTSREBF1
SCHEMBL6840531 0.76 PDE10A (0.52) RAB9ASMN1; SMN2KDM4EMAPTHDAC3
SCHEMBL14959671 0.75 RAB9A (0.51) RAB9ASMN1; SMN2KDM4EMAPTNPC1
SCHEMBL16059460 0.73 RAB9A (0.38) RAB9ASMN1; SMN2KDM4EMAPTSREBF1
SCHEMBL8234735 0.73 RAB9A (0.56) RAB9ASMN1; SMN2KDM4ESREBF1SREBF2
SCHEMBL24359598 0.72 GAA (0.52) RAB9ASMN1; SMN2KDM4EMAPTNPC1
Acetic Acid SCHEMBL11731347 0.72 SMN1; SMN2 (0.49) RAB9ASMN1; SMN2MAPTNPC1GAA
SCHEMBL2608449 0.70 ALDH1A1 (0.44) RAB9ASMN1; SMN2KDM4EMAPTHDAC3

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
US-8785378-B2 Macrocyclic peptides as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
EP-2216334-B1 HIV protease inhibiting sulfonamides ABBOTT LAB (US) 2012-10-31 EP disclosed
US-8163693-B2 Urea-containing peptides as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2012-04-24 US disclosed
US-20100292219-A1 TERTIARY AMINE SUBSTITUTED PEPTIDES USEFUL AS INHIBITORS OF HCV REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
US-20100124545-A1 CYCLIC CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF AS OF HEPATITIS C VIRUS ACHILLION PHARMACEUTICALS, INC. (US) 2010-05-20 US disclosed
US-20090082261-A1 UREA-CONTAINING PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2009-03-26 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 (3 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-20100292219-A1 TERTIARY AMINE SUBSTITUTED PEPTIDES USEFUL AS INHIBITORS OF HCV REPLICATION RTF2, RFC5, EIF2AK2 RAB9A 2548/4885SMN1; SMN2 4152/4885KDM4E 2472/4885
US-20090082261-A1 UREA-CONTAINING PEPTIDES AS INHIBITORS OF VIRAL REPLICATION VIP, SLC14A1, RPL35 RAB9A 137/4885SMN1; SMN2 4326/4885KDM4E 2272/4885
US-20100124545-A1 CYCLIC CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF AS OF HEPATITIS C VIRUS CPS1, CCKAR, C1R RAB9A 1230/4885SMN1; SMN2 4456/4885KDM4E 706/4885

“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.