SCHEMBL94156

SCHEMBL94156

CC1CCN(c2cc(Br)c(C#N)s2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.39
MEN1 O00255 7/20 0.38
KMT2A Q03164 7/20 0.38
MAPK1 P28482 3/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
HTT P42858 3/20 0.34
GAA P10253 2/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 3/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
RCE1 Q9Y256 1/20 0.32

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 0.82 L3MBTL1 (0.38) ARKMT2AMAPK1MAPTALDH1A1
SCHEMBL10119881 0.82 MEN1 (0.38) ARMEN1KMT2AMAPK1MAPT
SCHEMBL93848 0.82 ALDH1A1 (0.33) ARMEN1KMT2AMAPK1MAPT
SCHEMBL95047 0.81 TDP1 (0.37) ARMEN1KMT2AMAPK1MAPT
SCHEMBL27868606 0.77 ALDH1A1 (0.35) ARMEN1KMT2AMAPTALDH1A1
SCHEMBL94285 0.70 AR (0.36) AR
SCHEMBL94947 0.68 AR (0.36) AR
SCHEMBL94615 0.68 CYP1A2 (0.30) MAPT
SCHEMBL28311934 0.65 MEN1 (0.51) ARMEN1KMT2AMAPK1MAPT
SCHEMBL4595703 0.63

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 7 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
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 AR 1/4885MEN1 3677/4885KMT2A 3745/4885

“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.