SCHEMBL95047

SCHEMBL95047

N#Cc1sc(N2CCCCC2)cc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AR P10275 2/20 0.34
ALDH1A1 P00352 8/20 0.33
MAPT P10636 5/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 3/20 0.33
TP53 P04637 2/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 2/20 0.33
PSMD14 O00487 1/20 0.33
MME P08473 1/20 0.32
HSD17B10 Q99714 2/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.31
RECQL P46063 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31

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
SCHEMBL94753 0.98 L3MBTL1 (0.38) TDP1L3MBTL1ARALDH1A1MAPT
SCHEMBL93633 0.74 MAPT (0.41) ARALDH1A1MAPTHPGDTP53
SCHEMBL94947 0.70 AR (0.36) AR
SCHEMBL95334 0.66
SCHEMBL11519116 0.63 PRKDC (0.46) ARALDH1A1MAPTKDM4EHPGD
SCHEMBL4595703 0.63
SCHEMBL16404650 0.62 LMNA (0.43) TDP1L3MBTL1ARALDH1A1MAPT
SCHEMBL16404654 0.62 TDP1 (0.44) TDP1L3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL10119881 0.61 MEN1 (0.38) L3MBTL1ARALDH1A1MAPTKDM4E
SCHEMBL14349555 0.61 ALDH1A1 (0.42) ALDH1A1MAPTLMNANPSR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459221-A Thiophene derivatives SUMITOMO CHEMICAL CO 2012-05-16 CN claimed
US-20120065231-A1 THIOPHENE DERIVATIVE SUMITOMO CHEMICAL COMPANY LTD. (JP) 2012-03-15 US claimed
EP-2426117-A1 THIOPHENE DERIVATIVE Sumitomo Chemical Company, Limited (JP) 2012-03-07 EP claimed
CN-102459221-A Thiophene derivatives SUMITOMO CHEMICAL CO 2012-05-16 CN disclosed
US-20120065231-A1 THIOPHENE DERIVATIVE SUMITOMO CHEMICAL COMPANY LTD. (JP) 2012-03-15 US disclosed
US-20120065231-A1 THIOPHENE DERIVATIVE SUMITOMO CHEMICAL COMPANY LTD. (JP) 2012-03-15 US disclosed
US-20120065231-A1 THIOPHENE DERIVATIVE SUMITOMO CHEMICAL COMPANY LTD. (JP) 2012-03-15 US disclosed
EP-2426117-A1 THIOPHENE DERIVATIVE Sumitomo Chemical Company, Limited (JP) 2012-03-07 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 (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-20120065231-A1 THIOPHENE DERIVATIVE AR, NR5A1, SHBG TDP1 2040/4885L3MBTL1 4841/4885AR 1/4885

“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.