SCHEMBL1699097

SCHEMBL1699097

NC(=NO)c1ccc(O)c(O)c1O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.46
SELP P16109 1/20 0.46
HDAC1 Q13547 1/20 0.39
GAA P10253 2/20 0.39
KDM1A O60341 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
PIK3CA P42336 4/20 0.35
RECQL P46063 1/20 0.35
TERT O14746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL18732057 1.00 SELL (0.46) SELLSELPHDAC1GAAKDM1A
SCHEMBL18732063 1.00 SELL (0.46) SELLSELPHDAC1GAAKDM1A
SCHEMBL9313492 0.84 LMNA (0.46) GAAKDM1AL3MBTL1LMNARECQL
SCHEMBL18717468 0.73 ESR1 (0.48) SELLSELPHDAC1L3MBTL1PIK3CA
SCHEMBL896864 0.71 SELL (0.50) SELLSELPHDAC1PIK3CARECQL
SCHEMBL924425 0.71 SELL (0.62) SELLSELPHDAC1PIK3CARECQL
SCHEMBL7032709 0.71 SELL (0.50) SELLSELPHDAC1LMNAPIK3CA
SCHEMBL9312464 0.71 GAA (0.42) GAAKDM1AL3MBTL1LMNARECQL
SCHEMBL3082608 0.70 HPGD (0.54) GAAKDM1AL3MBTL1LMNAPIK3CA
SCHEMBL12159938 0.70 HPGD (0.54) GAAKDM1AL3MBTL1LMNAPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0144396-B1 POLYHYDROXYBENZOIC ACID DERIVATIVES VAN'T RIET, Bartholomeus (US) 1991-01-02 EP claimed
US-4623659-A RIBONUCLEOTIDE REDUCTASE INHIBITORS RIET BARTHOLOMEUS VAN T (US) 1986-11-18 US claimed
EP-0144396-A4 POLYHYDROXYBENZOIC ACID DERIVATIVES. RIET BARTHOLOMEUS VAN T (US) 1986-08-21 EP claimed
EP-0144396-A1 POLYHYDROXYBENZOIC ACID DERIVATIVES. RIET BARTHOLOMEUS VAN T (US) 1985-06-19 EP claimed
WO-1984004676-A1 POLYHYDROXYBENZOIC ACID DERIVATIVES RIET BARTHOLOMEUS VAN T 1984-12-06 WO claimed
US-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES AG (AT) 2014-11-27 US disclosed
US-20130252924-A1 Compounds and Methods for Treating Pain AKRON MOLECULES GMBH (AT) 2013-09-26 US disclosed
US-20130178517-A1 Methods And Compositions For Treatment Of Lipogenic Virus Related Conditions OBETECH LLC 2013-07-11 US disclosed
WO-2012006550-A2 METHODS AND COMPOSITIONS FOR TREATMENT OF LIPOGENIC VIRUS RELATED CONDITIONS OBETECH LLC (US) 2012-01-12 WO disclosed
US-5366996-A Administering hydroxamic acids ELFORD HOWARD L (US) 1994-11-22 US disclosed
US-5183828-A Ribonucleotide reductase inhibitor and free radical scavenger RIET BARTHOLOMEUS VAN T (US) 1993-02-02 US disclosed
EP-0144396-B1 POLYHYDROXYBENZOIC ACID DERIVATIVES VAN'T RIET, Bartholomeus (US) 1991-01-02 EP disclosed
US-4942253-A INHIBITORS OF RIBONUCLEOTIDE REDUCTASE, ANTITUMOR AGENTS, LEUKEMIA, FREE RADICAL SCAVENGERS RIET BARTHOLOMEUS VAN T (US) 1990-07-17 US disclosed
US-4623659-A RIBONUCLEOTIDE REDUCTASE INHIBITORS RIET BARTHOLOMEUS VAN T (US) 1986-11-18 US disclosed
EP-0144396-A4 POLYHYDROXYBENZOIC ACID DERIVATIVES. RIET BARTHOLOMEUS VAN T (US) 1986-08-21 EP disclosed
EP-0144396-A1 POLYHYDROXYBENZOIC ACID DERIVATIVES. RIET BARTHOLOMEUS VAN T (US) 1985-06-19 EP disclosed
WO-1984004676-A1 POLYHYDROXYBENZOIC ACID DERIVATIVES RIET BARTHOLOMEUS VAN T 1984-12-06 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 (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-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN TRPV1, ACHE, OPRL1 SELL 1471/4885SELP 987/4885HDAC1 1969/4885
US-20130252924-A1 Compounds and Methods for Treating Pain TRPV1, ACHE, OPRL1 SELL 1471/4885SELP 987/4885HDAC1 1969/4885

“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.