SCHEMBL17278980

SCHEMBL17278980

FC(F)(F)c1ccc(N=Nc2ccc(-c3ccc(N4CCSCC4)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ DPP4 P27487 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ CYP3A4 P08684 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MLYCD O95822 1/20 0.38
▸ DHFR P00374 1/20 0.37
▸ KIF11 P52732 3/20 0.37
▸ DGAT1 O75907 1/20 0.37
▸ SOAT1 P35610 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ NOTUM Q6P988 1/20 0.37
▸ MAP4K1 Q92918 1/20 0.37
▸ LGMN Q99538 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL19823017 0.95 CA12 (0.44) CA12CA2CA9DPP4AKR1C3
SCHEMBL17278982 0.87 MAPT (0.47) AKR1C3ALDH1A1MAPTLGMNTHRB
SCHEMBL19844455 0.87 DPP4 (0.43) CA12CA2CA9DPP4AKR1C3
SCHEMBL28218874 0.86 CA12 (0.51) CA12CA2CA9DPP4AKR1C3
SCHEMBL17278976 0.84 AKR1C3 (0.54) CA12CA2CA9AKR1C3ALDH1A1
SCHEMBL12069818 0.81 CA12 (0.47) CA12CA2CA9AKR1C3CYP3A4
SCHEMBL17368563 0.81 CA12 (0.47) CA12CA2CA9AKR1C3CYP3A4
SCHEMBL17278981 0.80 LGMN (0.54) ALDH1A1MAPTLGMNSMN1; SMN2
SCHEMBL17278979 0.79 APP (0.34) CYP3A4ALDH1A1MAPTMLYCDDHFR
SCHEMBL18409048 0.78 AKR1C3 (0.57) CA12CA2CA9AKR1C3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9644148-B2 Liquid Crystal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-09 — — US disclosed
US-9644148-B2 Liquid Crystal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-09 — — US disclosed
US-20150337203-A1 COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-26 — — US disclosed
US-20150337203-A1 COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-26 — — US 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-20150337203-A1 COMPOSITION CRY1, CRY2, C5 CA12 8/4885CA2 111/4885CA9 69/4885

“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.

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