SCHEMBL24236728

SCHEMBL24236728

Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(c4ccc(N5C(=O)c6ccc(C(=O)Nc7ccc(N)cn7)cc6C5=O)cc4)(C(F)(F)F)C(F)(F)F)cc2)C3=O)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 3/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ RAB9A P51151 5/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA9 Q16790 2/20 0.41
▸ F10 P00742 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41

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
SCHEMBL24236741 0.90 RXFP1 (0.48) PTGS1RXFP1KDM4ERAB9AALDH1A1
SCHEMBL24236742 0.86 RXFP1 (0.49) PTGS1RXFP1KDM4ERAB9AALDH1A1
SCHEMBL24236731 0.86 MEN1 (0.49) RXFP1KDM4ERAB9AALDH1A1NPC1
SCHEMBL24236720 0.86 RXFP1 (0.49) PTGS1RXFP1KDM4ERAB9AALDH1A1
SCHEMBL24236715 0.86 RAB9A (0.51) PTGS1RXFP1KDM4ERAB9AALDH1A1
SCHEMBL24236780 0.85 MEN1 (0.53) PTGS1KDM4ERAB9AALDH1A1NPC1
SCHEMBL24236779 0.84 PTGS1 (0.46) PTGS1RXFP1KDM4ERAB9AALDH1A1
SCHEMBL24236727 0.79 RXFP1 (0.56) RXFP1KDM4ERAB9AALDH1A1NPC1
SCHEMBL12405524 0.79 CA9 (0.52) RAB9AALDH1A1NPC1TSHRCASP1
SCHEMBL23917895 0.77 CA9 (0.41) RAB9AALDH1A1NPC1TSHRCASP1

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-20220033585-A1 DIAMINE COMPOUND, AND POLYIMIDE PRECURSOR AND POLYIMIDE FILM USING SAME LG CHEM, LTD. (KR) 2022-02-03 — — 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-20220033585-A1 DIAMINE COMPOUND, AND POLYIMIDE PRECURSOR AND POLYIMIDE FILM USING SAME DDC, PUF60, PARG PTGS1 3693/4885RXFP1 3892/4885KDM4E 44/4885

“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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