SCHEMBL18100965

SCHEMBL18100965

Cc1nc2ccc(F)cn2c1-c1cc([N+](=O)[O-])cc(Nc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ ABCB1 P08183 1/20 0.36
▸ ABCC1 P33527 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PIK3C3 Q8NEB9 1/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ AGPAT2 O15120 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.34
▸ DHODH Q02127 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL16747867 0.90 MEN1 (0.36) KMT2AMEN1MAPTMAPK1POLB
SCHEMBL18100960 0.86 KMT2A (0.44) KMT2AMEN1MAPTMAPK1POLB
SCHEMBL16747876 0.84 AGPAT2 (0.41) POLBABCB1AGPAT2DHODH
SCHEMBL18100967 0.83 AGPAT2 (0.39) POLBABCB1AGPAT2DHODH
SCHEMBL16747966 0.82 CSNK1D (0.40) POLBABCB1ABCG2AGPAT2TRPV1
SCHEMBL18100964 0.81 BMI1 (0.36) MAPTPOLBABCB1AGPAT2DHODH
SCHEMBL18103431 0.80 KMT2A (0.35) KMT2AMEN1MAPTPOLBABCB1
SCHEMBL16747837 0.80 KCNH2 (0.42) AGPAT2DHODH
SCHEMBL18100963 0.77 ALDH1A1 (0.38) KMT2AMEN1MAPTPOLBL3MBTL1
SCHEMBL16747881 0.77 MCHR1 (0.33) AGPAT2DHODH

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-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-09-29 — — 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-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS BMI1, BAZ2A, BAZ2B KMT2A 132/4885MEN1 985/4885MAPT 4561/4885

“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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