SCHEMBL21993978

SCHEMBL21993978

O=C(NC1CCC/C=C\CCC1)c1c[nH]c2c([N+](=O)[O-])cccc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNA2 P51530 1/20 0.58
▸ CASP6 P55212 1/20 0.58
▸ CTDSP1 Q9GZU7 1/20 0.58
▸ GUSB P08236 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ADORA2A P29274 1/20 0.44
▸ BACE1 P56817 1/20 0.43
▸ HTR3E A5X5Y0 1/20 0.43
▸ HTR3B O95264 1/20 0.43
▸ HTR3A P46098 1/20 0.43
▸ HTR3D Q70Z44 1/20 0.43
▸ HTR3C Q8WXA8 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ MAPT P10636 5/20 0.42
▸ TDP1 Q9NUW8 4/20 0.42
▸ POLB P06746 3/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CNR2 P34972 1/20 0.41
▸ TP53 P04637 2/20 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
SCHEMBL20153429 0.93 DNA2 (0.62) DNA2CASP6CTDSP1GUSBALDH1A1
SCHEMBL19220845 0.78 DNA2 (0.72) DNA2CASP6CTDSP1GUSBALDH1A1
SCHEMBL19220852 0.75 DNA2 (0.71) DNA2CASP6CTDSP1GUSBKMT2A
SCHEMBL4334739 0.75 DNA2 (1.00) DNA2CASP6CTDSP1GUSBALDH1A1
SCHEMBL6537720 0.74 DNA2 (0.78) DNA2CASP6CTDSP1GUSBALDH1A1
SCHEMBL19220847 0.74 DNA2 (0.62) DNA2CASP6CTDSP1GUSBALDH1A1
SCHEMBL17424077 0.73 ALDH1A1 (0.62) ALDH1A1KMT2AADORA2ABACE1HTR3E
SCHEMBL19226218 0.72 DNA2 (0.60) DNA2CASP6CTDSP1GUSBALDH1A1
SCHEMBL13163089 0.70 ALDH1A1 (0.61) ALDH1A1KMT2AMAPTTDP1SMN1; SMN2
SCHEMBL1277854 0.69 DNA2 (0.83) DNA2CASP6CTDSP1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11198675-B2 DNA2 inhibitors for cancer treatment CITY OF HOPE (US) 2021-12-14 — — US disclosed
US-20200148645-A1 DNA2 INHIBITORS FOR CANCER TREATMENT CITY OF HOPE 2020-05-14 — — 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 (2 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-20200148645-A1 DNA2 INHIBITORS FOR CANCER TREATMENT DNA2, TOP2A, TOP2B DNA2 1/4885CASP6 2412/4885CTDSP1 20/4885
US-11198675-B2 DNA2 inhibitors for cancer treatment DNA2, TOP2A, TOP2B DNA2 1/4885CASP6 2412/4885CTDSP1 20/4885

“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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