SCHEMBL26658643

SCHEMBL26658643

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 5/20 0.51
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 6/20 0.42
AR P10275 3/20 0.41
APP P05067 2/20 0.40
CASP6 P55212 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
BRD4 O60885 1/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
ALOX12 P18054 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL6723797 0.80 CYP1A2 (0.50) TDP1ALDH1A1APPKCNH2CYP3A4
SCHEMBL26656751 0.79 CTSB (0.56) CTSBTDP1ALDH1A1ARCASP6
SCHEMBL26656750 0.79 CTSB (0.56) CTSBTDP1ALDH1A1ARCASP6
SCHEMBL26656753 0.79 CTSB (0.56) CTSBTDP1ALDH1A1ARCASP6
SCHEMBL7788656 0.75 TDP1 (0.80) CTSBTDP1ALDH1A1ARCASP6
SCHEMBL26656754 0.75 TDP1 (0.55) CTSBTDP1ALDH1A1ARCASP6
SCHEMBL22852528 0.73 ATM (0.47) TDP1ALDH1A1APPMAPTLMNA
SCHEMBL25188258 0.73 TDP1 (0.49) CTSBTDP1ALDH1A1APPCASP6
SCHEMBL30184628 0.73 TDP1 (0.41) CTSBTDP1ALDH1A1APPNPC1
SCHEMBL27552681 0.72 TDP1 (0.52) CTSBTDP1ALDH1A1ARCASP6

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 CTSB 4076/4885TDP1 254/4885ALDH1A1 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.