SCHEMBL11067720

SCHEMBL11067720

CC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 7/20 0.61
ALDH1A1 P00352 5/20 0.61
KMT2A Q03164 6/20 0.59
MEN1 O00255 5/20 0.59
HPGD P15428 4/20 0.59
CYP2C9 P11712 3/20 0.59
CYP1A2 P05177 2/20 0.59
MAPT P10636 2/20 0.59
MAPK1 P28482 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
KDM4E B2RXH2 1/20 0.59
TTR P02766 1/20 0.59
ALOX15 P16050 1/20 0.59
ALOX12 P18054 1/20 0.59
RECQL P46063 1/20 0.59
PMP22 Q01453 1/20 0.59
HIF1A Q16665 1/20 0.59
HSD17B10 Q99714 1/20 0.59
LMNA P02545 2/20 0.51
NPSR1 Q6W5P4 1/20 0.50

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
Trinitrophenol SCHEMBL28577416 0.89 GPR35 (0.69) GPR35ALDH1A1KMT2AMEN1HPGD
Trinitrophenol SCHEMBL20695024 0.87 GPR35 (0.67) GPR35ALDH1A1KMT2AMEN1HPGD
Trinitrophenol SCHEMBL29086892 0.85 GPR35 (0.74) GPR35ALDH1A1KMT2AMEN1HPGD
Trinitrophenol SCHEMBL253750 0.84 GPR35 (0.79) GPR35ALDH1A1KMT2AMEN1HPGD
Trinitrophenol SCHEMBL8744 0.84 GPR35 (0.79) GPR35ALDH1A1KMT2AMEN1HPGD
3,5-Dinitrosalicylic Acid SCHEMBL28322215 0.84 GPR35 (0.59) GPR35ALDH1A1KMT2AMEN1HPGD
3,5-Dinitrosalicylic Acid SCHEMBL29350581 0.84 ALDH1A1 (0.61) GPR35ALDH1A1KMT2AMEN1HPGD
Trinitrophenol SCHEMBL29391747 0.84 GPR35 (0.62) GPR35ALDH1A1KMT2AMEN1HPGD
3,5-Dinitrosalicylic Acid SCHEMBL125292 0.84 ALDH1A1 (0.61) GPR35ALDH1A1KMT2AMEN1HPGD
3,5-Dinitrosalicylic Acid SCHEMBL28323234 0.84 ALDH1A1 (0.61) GPR35ALDH1A1KMT2AMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355726-A1 NEW TYPE OF CYTIDINE DERIVATIVE AND APPLICATION THEREOF CHANGZHOU FANGYUAN PHARMACEUTICAL CO., LTD (CN) 2017-12-14 US disclosed
US-20130153098-A1 Gas Generant Compositions JOYSON SAFETY SYSTEMS ACQUISITION LLC 2013-06-20 US disclosed
US-7250389-B1 Antifungal compound and process for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2007-07-31 US disclosed
US-7250389-B1 Antifungal compound and process for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2007-07-31 US disclosed
US-4442115-A ANTI-ASTHMA MAY & BAKER LIMITED (GB) 1984-04-10 US disclosed
US-3933472-A Substituted alkylaryl ketones and methods of use as herbicides BUCKMAN LABORATORIES, INC. (US) 1976-01-20 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-20170355726-A1 NEW TYPE OF CYTIDINE DERIVATIVE AND APPLICATION THEREOF DCTD, RNMT, TYMP GPR35 3275/4885ALDH1A1 1450/4885KMT2A 2291/4885

“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.