Dinitro Cresol

Dinitro Cresol

SCHEMBL4735684

Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O.Oc1ccccc1O

nearest known ligand 0.81

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 7/20 0.81
ALDH1A1 P00352 6/20 0.81
MAPT P10636 5/20 0.59
HPGD P15428 4/20 0.59
KDM4E B2RXH2 4/20 0.59
TDP1 Q9NUW8 4/20 0.59
HSD17B10 Q99714 3/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
MAPK1 P28482 2/20 0.59
ALOX15 P16050 2/20 0.59
ALOX12 P18054 2/20 0.59
TTR P02766 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
RECQL P46063 1/20 0.59
PMP22 Q01453 1/20 0.59
HIF1A Q16665 1/20 0.59
TSHR P16473 3/20 0.50
TP53 P04637 2/20 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
Dinitro Cresol SCHEMBL10801726 0.94 GPR35 (0.76) GPR35ALDH1A1MAPTHPGDKDM4E
Dinitro Cresol SCHEMBL9221013 0.90 ALDH1A1 (0.81) GPR35ALDH1A1MAPTHPGDKDM4E
Dinitro Cresol SCHEMBL1716451 0.90 GPR35 (0.93) GPR35ALDH1A1MAPTHPGDKDM4E
Dinitro Cresol SCHEMBL8873755 0.90 GPR35 (1.00) GPR35ALDH1A1MAPTHPGDKDM4E
Dinitro Cresol SCHEMBL29430312 0.90 GPR35 (1.00) GPR35ALDH1A1MAPTHPGDKDM4E
Dinitro Cresol SCHEMBL20734 0.90 GPR35 (1.00) GPR35ALDH1A1MAPTHPGDKDM4E
Dinitro Cresol SCHEMBL3976321 0.89 GPR35 (0.78) GPR35ALDH1A1MAPTHPGDKDM4E
Dinitro Cresol SCHEMBL892354 0.89 ALDH1A1 (0.78) GPR35ALDH1A1MAPTHPGDKDM4E
Dinitro Cresol SCHEMBL4636121 0.89 ALDH1A1 (0.78) GPR35ALDH1A1MAPTHPGDKDM4E
Dinitro Cresol SCHEMBL1509581 0.89 GPR35 (0.78) GPR35ALDH1A1MAPTHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008045017-A2 SARS AND EBOLA INHIBITORS AND USE THEREOF, AND METHODS FOR THEIR DISCOVERY DIAMOND SCOTT L (US) 2008-04-17 WO disclosed
US-20070203073-A1 SARS and Ebola inhibitors and use thereof, and methods for their discovery DIAMOND SCOTT L 2007-08-30 US disclosed
EP-0623134-B1 METAL COMPLEXES OF WATER SOLUBLE TEXAPHYRINS UNIV TEXAS (US) 2002-11-06 EP disclosed
US-5994535-A Water soluble texaphyrin metal complex preparation BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1999-11-30 US disclosed
US-5733903-A ANTITUMOR AGENTS WITH DIAMAGNETISM BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1998-03-31 US disclosed
US-5569759-A MAGNETIC RESONANCE IMAGING; TUMOR THERAPY BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 1996-10-29 US disclosed
US-5504205-A MACROMOLECULAR PORPHYRINS; WATER SOLUBILITY, LIPOPHILIC BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 1996-04-02 US disclosed
US-5475104-A Useful in magnetic resonance imaging; detection tumors, cancer cells; transition and lanthanide metals BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-12-12 US disclosed
US-5457183-A Radiosensitizers BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-10-10 US disclosed
US-5451576-A Tumor imaging and treatment by water soluble texaphyrin metal complexes BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-09-19 US disclosed
US-5439570-A Destroying tumors, viruses; magnetic resonance imaging BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-08-08 US disclosed
US-5432171-A Water soluble texaphyrin metal complexes for viral deactivation BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-07-11 US disclosed
EP-0623134-A1 METAL COMPLEXES OF WATER SOLUBLE TEXAPHYRINS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1994-11-09 EP disclosed
US-5252720-A Medical uses BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1993-10-12 US disclosed
WO-1993014093-A1 METAL COMPLEXES OF WATER SOLUBLE TEXAPHYRINS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1993-07-22 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-20070203073-A1 SARS and Ebola inhibitors and use thereof, and methods for their discovery CTSL, CTSV, CTSZ GPR35 4381/4885ALDH1A1 2172/4885MAPT 3097/4885

“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.