SCHEMBL23917891

SCHEMBL23917891

Nc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(-c4ccc(N5C(=O)c6ccc(C(=O)Oc7ccc(N)cn7)cc6C5=O)cc4C(F)(F)F)c(C(F)(F)F)c2)C3)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 5/20 0.35
▸ CA2 P00918 5/20 0.35
▸ CA4 P22748 5/20 0.35
▸ CA9 Q16790 5/20 0.35
▸ ALDH1A1 P00352 5/20 0.33
▸ CA12 O43570 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ CASP1 P29466 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MET P08581 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
SCHEMBL23918049 0.91 CA1 (0.40) CA1CA2CA4CA9ALDH1A1
SCHEMBL23917920 0.91 CA1 (0.36) CA1CA2CA4CA9ALDH1A1
SCHEMBL23917895 0.78 CA9 (0.41) CA1CA2CA4CA9ALDH1A1
SCHEMBL23917893 0.77 ALDH1A1 (0.46) CA1CA2CA4CA9ALDH1A1
SCHEMBL23917903 0.77 PTGES (0.48) CA1CA2CA4CA9ALDH1A1
SCHEMBL23917923 0.76 ALDH1A1 (0.43) CA1CA2CA4CA9ALDH1A1
SCHEMBL23917901 0.76 CA1 (0.44) CA1CA2CA4CA9ALDH1A1
SCHEMBL23917892 0.76 CA1 (0.44) CA1CA2CA4CA9ALDH1A1
SCHEMBL15845423 0.68 NPSR1 (0.63) CA1CA2CA4CA9ALDH1A1
SCHEMBL31254184 0.68 NPSR1 (0.63) CA1CA2CA4CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317082-A1 DIAMINE COMPOUND, POLYIMIDE PRECURSOR USING SAME, AND POLYIMIDE FILM LG CHEM, LTD. (KR) 2021-10-14 — — 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-20210317082-A1 DIAMINE COMPOUND, POLYIMIDE PRECURSOR USING SAME, AND POLYIMIDE FILM DDC, ODC1, PUF60 CA1 823/4885CA2 2773/4885CA4 2593/4885

“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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