SCHEMBL12895264

SCHEMBL12895264

CC(C)c1ccc(Cc2nnn[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
IDO1 P14902 2/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
TP53 P04637 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
COPS5 Q92905 1/20 0.35
PNP P00491 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC5A1 P13866 1/20 0.34
SLC5A2 P31639 1/20 0.34
UCHL3 P15374 2/20 0.33
TYR P14679 1/20 0.33

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
SCHEMBL11534430 0.85 DAO (0.33) NPC1RAB9A
SCHEMBL13946902 0.83 PTGS1 (0.35) MEN1LMNAKMT2ASLC5A2
SCHEMBL9447366 0.82 POLB (0.40) IDO1NPC1RAB9AKMT2A
SCHEMBL6505678 0.80 NR1H2 (0.41) IDO1LMNAKMT2AKDM4E
SCHEMBL13946889 0.80 TP53 (0.41) NPC1RAB9ATP53TDP1SMN1; SMN2
SCHEMBL4573094 0.80 CYP3A4 (0.48) NPC1RAB9ATDP1LMNAKDM4E
SCHEMBL12017473 0.77 PARP1 (0.40) RAB9ATP53KDM4ESMN1; SMN2
SCHEMBL12017472 0.77 APP (0.33) LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL19580445 0.77 AKT2 (0.39)
SCHEMBL15874962 0.77 HRH3 (0.41) HTR1DIDO1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7893084-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM CANADA LTD. (CA) 2011-02-22 US disclosed
US-7576079-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-08-18 US disclosed
US-7576079-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-08-18 US disclosed
US-20090087409-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-04-02 US disclosed
US-7495020-B2 2-aryloxy-2-arylalkanoic acids for diabetes and lipid disorders MERCK & CO., INC. (US) 2009-02-24 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 (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-20090087409-A1 Viral Polymerase Inhibitors NR2C2, NR4A1, MED25 HTR1D 2177/4885HTR1B 821/4885IDO1 1674/4885

“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.