SCHEMBL3602624

SCHEMBL3602624

Brc1ccc(N2CCCCC2)c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.69
AR P10275 2/20 0.54
CTSB P07858 1/20 0.51
HPGD P15428 2/20 0.47
KEAP1 Q14145 1/20 0.46
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
NCF1 P14598 2/20 0.42
PRKDC P78527 1/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 2/20 0.41
HTT P42858 2/20 0.41
TLR9 Q9NR96 1/20 0.41
TSHR P16473 2/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL783698 0.98 HTR6 (0.71) HTR6ARCTSBHPGDKEAP1
SCHEMBL16156713 0.81 HTR6 (1.00) HTR6HPGDALDH1A1NCF1KDM4E
SCHEMBL29551803 0.81 HTR6 (0.65) HTR6CTSBHPGDALDH1A1MEN1
SCHEMBL15537470 0.81 HTR6 (0.65) HTR6CTSBHPGDALDH1A1MEN1
SCHEMBL24093676 0.77 GAA (0.55) HTR6ARCTSBHPGDKEAP1
SCHEMBL30824969 0.77 AR (0.54) HTR6ARCTSBHPGDKEAP1
SCHEMBL19284723 0.76 HTR6 (0.65) HTR6HPGDALDH1A1MEN1MAPT
Hydrochloric Acid SCHEMBL30735705 0.76 GAA (0.53) ARCTSBHPGDKEAP1MAPK1
SCHEMBL3021427 0.75 KEAP1 (0.57) HPGDKEAP1MAPK1L3MBTL1ALDH1A1
SCHEMBL16188913 0.74 AR (0.56) HTR6ARCTSBHPGDKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 US disclosed
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-20090042857-A1 Novel Pharmaceutical TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-12 US disclosed
EP-1987827-A1 NOVEL PHARMACEUTICAL Takeda Pharmaceutical Company Limited (JP) 2008-11-05 EP disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
CN-1688527-A Fused benzene derivatives and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-10-26 CN disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP 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-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 HTR6 1310/4885AR 1/4885CTSB 4422/4885
US-20090042857-A1 Novel Pharmaceutical AR, NR5A1, NR5A2 HTR6 1309/4885AR 1/4885CTSB 3158/4885
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 HTR6 3773/4885AR 1759/4885CTSB 1216/4885

“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.