SCHEMBL803700

SCHEMBL803700

Cc1ccc2c(C3CCCCC3)c(Br)[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KIF11 P52732 4/20 0.40
MC4R P32245 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CCR3 P51677 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
KCNH2 Q12809 1/20 0.36
ARF6 P62330 1/20 0.35
ALOX15 P16050 2/20 0.34
KMT2A Q03164 1/20 0.34
CSF1R P07333 1/20 0.33
ITK Q08881 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
SCHEMBL13886771 0.82 NPC1 (0.48) NPC1RAB9AKIF11MC4RRXFP1
SCHEMBL5437448 0.81 SLC6A4 (0.37) HTR2AHTR2CKCNH2
SCHEMBL13286195 0.79 KIF11 (0.41) NPC1RAB9AKIF11ALDH1A1KDM4E
SCHEMBL27770205 0.78 HTR2A (0.32) KIF11ALDH1A1KDM4EHTR2AHTR2C
SCHEMBL50743 0.77 PARP1 (0.46) RAB9AKIF11ALDH1A1KDM4EHSD17B10
SCHEMBL18661421 0.76 CHEK2 (0.42) RAB9AALDH1A1KDM4ECCR3KMT2A
SCHEMBL84762 0.76 MAOA (0.33) ALDH1A1KDM4EHTR2AHTR2CKCNH2
SCHEMBL50237 0.76 PARP1 (0.50) RAB9AKIF11ALDH1A1KDM4EHSD17B10
SCHEMBL13792682 0.76 KDM4E (0.49) ALDH1A1KDM4EHSD17B10
SCHEMBL13210438 0.75 HTR2A (0.32) HTR2AHTR2CKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 NPC1 1131/4885RAB9A 2410/4885KIF11 2609/4885

“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.