SCHEMBL6736550

SCHEMBL6736550

Cn1c(C=O)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 4/20 0.41
POLB P06746 1/20 0.41
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
LMNA P02545 3/20 0.33
MAPT P10636 3/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
THRB P10828 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
GAA P10253 1/20 0.31
ERN1 O75460 2/20 0.31
ALDH5A1 P51649 1/20 0.31

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
SCHEMBL6014116 0.75 TRIM24 (0.50) KMT2AALDH1A1POLBTRIM24TRIM33
SCHEMBL14596454 0.72 CYP1A2 (0.41) KMT2AALDH1A1CYP1A2CYP2C9LMNA
SCHEMBL14364106 0.72 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2C9LMNAMAPT
SCHEMBL14364101 0.71 PKM (0.37) KMT2AALDH1A1CYP1A2CYP2C9LMNA
SCHEMBL29042327 0.68 MAPT (0.55) KMT2AALDH1A1LMNAMAPTATM
SCHEMBL6237426 0.67
SCHEMBL7048214 0.67 SMN1; SMN2 (0.40) KMT2AALDH1A1POLBCYP1A2CYP2C9
SCHEMBL868224 0.67 MAPT (0.35) ALDH1A1CYP1A2CYP2C9LMNAMAPT
SCHEMBL7049450 0.67 CYP1A2 (0.37) ALDH1A1CYP1A2CYP2C9LMNAMAPT
SCHEMBL8655214 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114384756-A Resin composition, toner for developing electrostatic image, image forming method, photosensitive adhesive, and photoswitch material 柯尼卡美能达株式会社 2022-04-22 CN disclosed
US-20040242591-A1 Oxazolidinone derivatives as pontential antimicrobials RANBAXY LABORATORIES LIMITED (IN) 2004-12-02 US disclosed
EP-0850224-B1 RADIATION-ACTIVATED CYTOTOXIN THERAPY AUCKLAND UNISERVICES LTD (NZ) 2003-04-09 EP disclosed
EP-1225169-A1 Radiation-activated cytotoxin therapy AUCKLAND UNISERVICES LIMITED (NZ) 2002-07-24 EP disclosed
EP-1173414-A1 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2002-01-23 EP disclosed
WO-2000064864-A9 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RES CAMPAIGN TECH (GB) 2001-12-27 WO disclosed
WO-2000064864-A1 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-11-02 WO disclosed
US-6071908-A A RADIATION-ACTIVATED CYTOTOXIN PRODRUG HAVING LOW TOXICITY, WHICH CAN BE REDUCED BY REDUCING AGENTS GENERATED BY THE RADIOLYSIS OF WATER WHICH RELEASES AN CYTOXIC EFFECTOR; ANTITUMOR,-CARCINOGENIC AGENTS; AUCKLAND UNISERVICES LIMITED (NZ) 2000-06-06 US disclosed
EP-0850224-A1 RADIATION-ACTIVATED CYTOTOXIN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 1998-07-01 EP disclosed
WO-1997007101-A1 RADIATION-ACTIVATED CYTOTOXIN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 1997-02-27 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-20040242591-A1 Oxazolidinone derivatives as pontential antimicrobials PDK4, OXA1L, PPARD KMT2A 4151/4885ALDH1A1 1234/4885POLB 304/4885

“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.