SCHEMBL19220849

SCHEMBL19220849

CC(O)(c1ccc(NC(=O)c2cnc3c([N+](=O)[O-])cccc3c2O)cc1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 2/20 0.46
▸ TRPV1 Q8NER1 2/20 0.43
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ PDK1 Q15118 1/20 0.40
▸ PDK2 Q15119 1/20 0.40
▸ PDK3 Q15120 1/20 0.40
▸ PDK4 Q16654 1/20 0.40
▸ LMNA P02545 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ POLB P06746 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NCOA1 Q15788 1/20 0.39
▸ NCOA3 Q9Y6Q9 1/20 0.39
▸ TNF P01375 1/20 0.39

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
SCHEMBL19220853 0.90 MAPT (0.50) P2RX1TRPV1KMT2AMEN1LMNA
SCHEMBL19220850 0.76 DNA2 (0.54) P2RX1KMT2AMEN1LMNAMAPT
SCHEMBL19220855 0.75 MAPT (0.48) KMT2AMEN1LMNAMAPTPOLB
SCHEMBL6200991 0.71 MAPT (0.49) KMT2AMEN1LMNAMAPTPOLB
SCHEMBL1549304 0.71 P2RX1 (0.65) P2RX1TRPV1KMT2AMEN1LMNA
SCHEMBL19220851 0.70 KMT2A (0.47) KMT2ALMNAPOLBMAPK1SMN1; SMN2
SCHEMBL31078123 0.69 P2RX1 (0.65) P2RX1KMT2AMEN1LMNAMAPT
SCHEMBL6984531 0.69 MEN1 (0.53) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL18341392 0.68 SMN1; SMN2 (0.53) P2RX1TRPV1LMNANPSR1SMN1; SMN2
SCHEMBL6195248 0.68 HPGD (0.58) KMT2AMEN1LMNAPOLBSMN1; SMN2

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-11780815-B2 DNA2 inhibitors for cancer treatment CITY OF HOPE (US) 2023-10-10 — — US disclosed
US-20180134664-A1 DNA2 INHIBITORS FOR CANCER TREATMENT CITY OF HOPE 2018-05-17 — — US disclosed
US-9932310-B2 DNA2 inhibitors for cancer treatment CITY OF HOPE (US) 2018-04-03 — — US disclosed
US-20170226063-A1 DNA2 INHIBITORS FOR CANCER TREATMENT CITY OF HOPE 2017-08-10 — — 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 (3 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-20180134664-A1 DNA2 INHIBITORS FOR CANCER TREATMENT DNA2, TOP2A, TOP2B P2RX1 4524/4885TRPV1 4867/4885KMT2A 470/4885
US-20170226063-A1 DNA2 INHIBITORS FOR CANCER TREATMENT DNA2, TOP2A, TOP2B P2RX1 4524/4885TRPV1 4867/4885KMT2A 470/4885
US-11780815-B2 DNA2 inhibitors for cancer treatment DNA2, TOP2A, TOP2B P2RX1 4524/4885TRPV1 4867/4885KMT2A 470/4885

“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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