SCHEMBL3345170

SCHEMBL3345170

O=[C]c1cccc([N+](=O)[O-])c1[C]=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.48
GPR35 Q9HC97 2/20 0.47
ALDH1A1 P00352 4/20 0.42
TSHR P16473 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PLAU P00749 1/20 0.42
S100A4 P26447 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38
PDE10A Q9Y233 1/20 0.38
PTPRC P08575 1/20 0.38
ERN1 O75460 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
GAA P10253 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
SCHEMBL5780887 0.87 TDP1 (0.56) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL244915 0.87 TDP1 (0.44) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL25310 0.81 HSD17B10 (0.50) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL55225 0.80 GPR35 (0.55) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL28059536 0.78 SMN1; SMN2 (0.47) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL28175713 0.78 TSHR (0.60) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL10825048 0.78 TDP1 (0.47) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL5682648 0.78 GPR35 (0.67) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL5222485 0.78 TDP1 (0.47) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL5160633 0.78 TDP1 (0.67) TDP1GPR35ALDH1A1TSHRSMN1; SMN2

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1989004672-A1 DERIVATIVES OF LINCOSAMINIDE ANTIBIOTICS THE UPJOHN COMPANY (US) 1989-06-01 WO claimed
US-4378803-A Process for producing antithrombogenic vinyl acetate polymer or hydrolyzate thereof UNITIKA, LTD. (JP) 1983-04-05 US claimed
US-10065133-B2 Separation material comprising phosphoryl choline derivatives PENTRACOR GMBH (DE) 2018-09-04 US disclosed
US-9671396-B2 Solid substrate comprising array of dendrons and methods for using the same PARK JOON WON (KR) 2017-06-06 US disclosed
EP-3041852-B1 SEPARATION MATERIAL COMPRISING PHOSPHORYL CHOLINE DERIVATIVES PENTRACOR GMBH (DE) 2017-05-31 EP disclosed
US-20170120163-A1 SEPARATION MATERIAL COMPRISING PHOSPHORYL CHOLINE DERIVATIVES PENTRACOR GMBH (DE) 2017-05-04 US disclosed
EP-3041852-A1 SEPARATION MATERIAL COMPRISING PHOSPHORYL CHOLINE DERIVATIVES Pentracor GmbH (DE) 2016-07-13 EP disclosed
US-9389227-B2 Solid substrate comprising array of dendrons and methods for using the same POSCO (KR) 2016-07-12 US disclosed
EP-2957563-A1 Separation material comprising phosphoryl choline derivatives Pentracor GmbH (DE) 2015-12-23 EP disclosed
WO-2015193504-A1 SEPARATION MATERIAL COMPRISING PHOSPHORYL CHOLINE DERIVATIVES PENTRACOR GMBH (DE) 2015-12-23 WO disclosed
US-9201067-B2 Size-controlled macromolecule POSCO (KR) 2015-12-01 US disclosed
US-4342750-A Method for treating benign prostatic hypertrophy with N-acyl amphotericin B SCHMID LABS., INC. (US) 1982-08-03 US disclosed
US-4292310-A BY MOUTH; ANTICHOLESTEROL AND ANTILIPEMIC AGENTS LONDON INTERNATIONAL U.S. HOLDINGS, INC. 1981-09-29 US disclosed
US-4163050-A Method of treating hypercholesterolemia with candimycin SCHMID LABORATORIES, INC. (US) 1979-07-31 US disclosed
US-4067966-A Method of treating hypercholesterolemia with antibiotic SCH-16656 SCHMID LABORATORIES, INC. (US) 1978-01-10 US disclosed
US-4039659-A METHOD FOR TREATING HYPERCHOLESTEROLEMIA WITH LEVORIN SCHMID LABORATORIES, INC. (US) 1977-08-02 US disclosed
US-3978079-A DIPHTHALIMIDO, DISUCCINIMIDO AND DIMALEIMIDO OXALATES AMERICAN CYANAMID COMPANY (US) 1976-08-31 US disclosed
US-3966910-A Method for treating hypercholesterolemia with mediocidin SCHMID LABORATORIES, INC. (US) 1976-06-29 US disclosed
US-3966911-A Method for treating hypercholesterolemia with N-acetyl candicidin SCHMID LABORATORIES, INC. (US) 1976-06-29 US disclosed
US-3954971-A Method of treating prostatic hypertrophy with N-acetyl candicidin SCHMID LABORATORIES, INC. (US) 1976-05-04 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 (2 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-20170120163-A1 SEPARATION MATERIAL COMPRISING PHOSPHORYL CHOLINE DERIVATIVES CHKA, PHOSPHO1, C3AR1 TDP1 3114/4885GPR35 1454/4885ALDH1A1 4540/4885
US-10065133-B2 Separation material comprising phosphoryl choline derivatives CHKA, PHOSPHO1, CHKB TDP1 3115/4885GPR35 1615/4885ALDH1A1 4590/4885

“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.