SCHEMBL26656754

SCHEMBL26656754

CC(C)c1ccc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
CTSB P07858 5/20 0.55
ALDH1A1 P00352 8/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
AR P10275 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PDK1 Q15118 1/20 0.43
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
BRD4 O60885 1/20 0.42
LMNA P02545 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD2 P14416 1/20 0.42
ALOX12 P18054 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42

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
SCHEMBL15701601 0.89 TDP1 (0.67) TDP1CTSBALDH1A1SMN1; SMN2MEN1
SCHEMBL26656750 0.86 CTSB (0.56) TDP1CTSBALDH1A1SMN1; SMN2AR
SCHEMBL26656753 0.86 CTSB (0.56) TDP1CTSBALDH1A1SMN1; SMN2AR
SCHEMBL26656751 0.86 CTSB (0.56) TDP1CTSBALDH1A1SMN1; SMN2AR
SCHEMBL27552681 0.86 TDP1 (0.52) TDP1CTSBALDH1A1SMN1; SMN2AR
SCHEMBL13825366 0.83 CTSB (0.49) TDP1CTSBALDH1A1SMN1; SMN2AR
SCHEMBL7788656 0.82 TDP1 (0.80) TDP1CTSBALDH1A1SMN1; SMN2AR
SCHEMBL28691904 0.82 CTSB (0.47) TDP1CTSBALDH1A1SMN1; SMN2AR
SCHEMBL3873410 0.79 CTSB (0.45) TDP1CTSBALDH1A1SMN1; SMN2AR
SCHEMBL20063084 0.78 KMT2A (0.68) TDP1CTSBALDH1A1SMN1; SMN2MEN1

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-20230339991-A1 HYPOXIA-ACTIVATED DNA ALKYLATING AGENT AND MEDICAL USE THEREOF ASCENTAWITS PHARMACEUTICALS, LTD. (CN) 2023-10-26 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-20230339991-A1 HYPOXIA-ACTIVATED DNA ALKYLATING AGENT AND MEDICAL USE THEREOF HIF1AN, HIF1A, MGMT TDP1 254/4885CTSB 4076/4885ALDH1A1 1217/4885

“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.