SCHEMBL4599296

SCHEMBL4599296

O=C(O)c1nc(Cl)nc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 2/20 0.31
POLB P06746 1/20 0.31
GPR35 Q9HC97 1/20 0.30

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
SCHEMBL17619238 0.84 MAPT (0.33) MAPTALDH1A1TSHRPOLB
SCHEMBL110074 0.81 NPSR1 (0.44) MAPTALDH1A1POLB
Hydrochloric Acid SCHEMBL15206614 0.80 SMN1; SMN2 (0.42) MAPTALDH1A1POLB
SCHEMBL628550 0.80 ALDH1A1 (0.41) TDP1MAPTALDH1A1TSHRPOLB
SCHEMBL58060 0.76 PTGS1 (0.42) MAPTALDH1A1PTGS1PTGS2CYP1A2
SCHEMBL16297625 0.75 KMT2A (0.35) TDP1MAPTALDH1A1TSHRPOLB
SCHEMBL28196712 0.71 TDP1 (0.57) TDP1MAPTALDH1A1CYP1A2TSHR
SCHEMBL29978776 0.71 MAPT (0.35) TDP1MAPTALDH1A1TSHR
SCHEMBL56358 0.71 MAPT (0.50) TDP1MAPTALDH1A1TSHRPOLB
SCHEMBL2459982 0.71 MAPT (0.35) TDP1MAPTALDH1A1TSHR

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-20230172940-A1 METHODS OF EXTENDING LIFESPAN BY ADMINISTERING FERROPTOSIS INHIBITORS COLLABORATIVE MEDICINAL DEVELOPMENT, LLC (US) 2023-06-08 US disclosed
EP-4161934-A1 INHIBITORS OF KRAS G12C PROTEIN AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-04-12 EP disclosed
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP disclosed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO 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-20230172940-A1 METHODS OF EXTENDING LIFESPAN BY ADMINISTERING FERROPTOSIS INHIBITORS GPX4, GPX1, AIFM2 TDP1 989/4885MAPT 2637/4885ALDH1A1 1337/4885

“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.