SCHEMBL94837

SCHEMBL94837

CCCC1CCCCN1c1cc(Br)c(C#N)s1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.34
MME P08473 1/20 0.34
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
CRHR1 P34998 1/20 0.32
SLC6A4 P31645 1/20 0.31
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
HTR7 P34969 1/20 0.30
HTR6 P50406 1/20 0.30

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
SCHEMBL94742 0.85 TYMP (0.38)
SCHEMBL93633 0.81 MAPT (0.41) AR
SCHEMBL94615 0.79 CYP1A2 (0.30)
SCHEMBL94285 0.78 AR (0.36) AR
SCHEMBL94947 0.76 AR (0.36) AR
SCHEMBL94753 0.71 L3MBTL1 (0.38) ARMME
SCHEMBL94648 0.71 MME (0.32) ARMME
SCHEMBL94044 0.71 AR (0.50) ARMME
SCHEMBL94833 0.70 MME (0.32) ARMME
SCHEMBL96640 0.70 MME (0.32) ARMME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 AR 1/4885MME 1367/4885PSEN1 2939/4885

“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.