SCHEMBL14979853

SCHEMBL14979853

CCCCOc1c(Br)c(=O)[nH]c2cc(C)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 3/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39

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
SCHEMBL14979873 0.86 PARP1 (0.44) HTTHSD17B10TSHRALDH1A1MEN1
SCHEMBL14979851 0.84 KIF11 (0.40) MAPTHSD17B10ALDH1A1KDM4ENPC1
SCHEMBL14979852 0.83 MAPT (0.44) MAPTHSD17B10GRIN2DGRIN3BGRIN1
SCHEMBL16107102 0.80 CTSV (0.44) HTTHSD17B10TSHRALDH1A1KDM4E
SCHEMBL14979958 0.75 PARP1 (0.43) HSD17B10ALDH1A1KDM4EGRIN2DGRIN3B
SCHEMBL8004352 0.73 PARP1 (0.49) MAPTHTTHSD17B10ALDH1A1KDM4E
SCHEMBL6581344 0.71 HTT (0.39) MAPTHTTHSD17B10TSHRALDH1A1
SCHEMBL8001131 0.70 PARP1 (0.46) MAPTTSHRALDH1A1MEN1KMT2A
SCHEMBL8004560 0.70 AR (0.47) MAPTHTTHSD17B10TSHRALDH1A1
SCHEMBL8004628 0.70 PARP1 (0.46) MAPTTSHRALDH1A1MEN1KMT2A

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-9328138-B2 HCV NS3 protease inhibitors MSD ITALIA S.R.L. (IT) 2016-05-03 US disclosed
US-20140296136-A1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2014-10-02 US disclosed
WO-2013074386-A2 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-05-23 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 (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-20140296136-A1 HCV NS3 PROTEASE INHIBITORS HAVCR2, GTF3C3, CTSC MAPT 4330/4885HTT 3331/4885HSD17B10 506/4885

“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.