SCHEMBL4189931

SCHEMBL4189931

CCOc1ccc(NC(=O)O)cc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.73
LMNA P02545 2/20 0.73
CYP1A2 P05177 2/20 0.73
POLB P06746 1/20 0.73
MEN1 O00255 1/20 0.73
TDP1 Q9NUW8 1/20 0.73
ALDH1A1 P00352 4/20 0.71
MAPT P10636 4/20 0.67
SMN1; SMN2 Q16637 4/20 0.64
NPC1 O15118 3/20 0.64
RAB9A P51151 2/20 0.64
HPGD P15428 1/20 0.64
KDM4E B2RXH2 2/20 0.61
HTT P42858 1/20 0.61
MAPK1 P28482 1/20 0.61
TSHR P16473 1/20 0.60
TP53 P04637 1/20 0.59
FAAH O00519 1/20 0.59
EGFR P00533 1/20 0.59

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
Fluoride SCHEMBL11793913 0.98 KMT2A (0.71) KMT2ALMNACYP1A2POLBMEN1
SCHEMBL3462941 0.90 EGFR (0.66) KMT2ALMNACYP1A2POLBMEN1
SCHEMBL3462939 0.90 EGFR (0.66) KMT2ALMNACYP1A2POLBMEN1
SCHEMBL10576308 0.86 MAPT (0.86) KMT2ALMNACYP1A2POLBMEN1
SCHEMBL9515073 0.85 LMNA (0.69) KMT2ALMNACYP1A2POLBMEN1
SCHEMBL5218010 0.85 GAA (0.64) KMT2ALMNAPOLBMEN1ALDH1A1
Phenacetin SCHEMBL23280 0.85 KMT2A (1.00) KMT2ALMNACYP1A2POLBMEN1
Phenacetin SCHEMBL18894356 0.85 KMT2A (1.00) KMT2ALMNACYP1A2POLBMEN1
SCHEMBL9312707 0.85 POLB (1.00) KMT2ALMNACYP1A2POLBMEN1
SCHEMBL4104467 0.84 MAPT (0.76) KMT2ALMNACYP1A2POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840610-B2 Compositions and methods for the degradation of waste polypropylene NOVOLOOP, INC. (US) 2023-12-12 US claimed
US-20190054067-A1 COMPOSITIONS AND METHODS FOR TREATING COMPULSIVE-LIKE BEHAVIOR IN A SUBJECT SAINT JOSEPH'S UNIVERSITY 2019-02-21 US claimed
EP-3429563-A1 COMPOSITIONS AND METHODS FOR TREATING COMPULSIVE-LIKE BEHAVIOR IN A SUBJECT University of the Sciences in Philadelphia (US) 2019-01-23 EP claimed
WO-2017160813-A1 COMPOSITIONS AND METHODS FOR TREATING COMPULSIVE-LIKE BEHAVIOR IN A SUBJECT UNIVERSITY OF THE SCIENCES (US) 2017-09-21 WO claimed
US-20190054067-A1 COMPOSITIONS AND METHODS FOR TREATING COMPULSIVE-LIKE BEHAVIOR IN A SUBJECT SAINT JOSEPH'S UNIVERSITY 2019-02-21 US disclosed
EP-3429563-A1 COMPOSITIONS AND METHODS FOR TREATING COMPULSIVE-LIKE BEHAVIOR IN A SUBJECT University of the Sciences in Philadelphia (US) 2019-01-23 EP disclosed
US-10005739-B2 Quinazolinone and isoquinolinone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2018-06-26 US disclosed
WO-2017160813-A1 COMPOSITIONS AND METHODS FOR TREATING COMPULSIVE-LIKE BEHAVIOR IN A SUBJECT UNIVERSITY OF THE SCIENCES (US) 2017-09-21 WO disclosed
US-20160272595-A1 QUINAZOLINONE AND ISOQUINOLINONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-09-22 US disclosed
EP-3061749-A1 QUINAZOLINONE AND ISOQUINOLINONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2016-08-31 EP disclosed
CN-102746296-B Oxazolidinone antibiotics ACTELION PHARMACEUTICALS LTD. (CH) 2015-10-28 CN disclosed
CN-102746297-B Oxazolidinone antibiotics ACTELION PHARMACEUTICALS LTD. (CH) 2015-08-26 CN disclosed
US-20090054472-A1 Pyrazolopyrimidine Derivatives or Pharmaceutically Acceptable Salts Thereof TEIJIN PHARMA LIMITED (JP) 2009-02-26 US disclosed
US-7473694-B2 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED (JP) 2009-01-06 US disclosed
EP-1864986-A1 PYRAZOLOPYRIMIDINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2007-12-12 EP disclosed
US-20070173519-A1 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-07-26 US disclosed
US-4798905-A MICROBIOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-01-17 US disclosed
US-4396621-A ANALGESICS, ANTIIMFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1983-08-02 US disclosed
US-4320138-A ANTIINFLAMMATORY AGENTS FOR ARTHRITIS, GOUT CIBA-GEIGY CORPORATION (US) 1982-03-16 US disclosed
US-4260779-A ANALGESICS, ANTIINFLAMMATORY, DIURETICS CIBA-GEIGY CORPORATION (US) 1981-04-07 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 (5 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-20090054472-A1 Pyrazolopyrimidine Derivatives or Pharmaceutically Acceptable Salts Thereof MAPKAPK2, MAPKAPK5, MAPKAPK3 KMT2A 979/4885LMNA 4673/4885CYP1A2 3758/4885
US-20160272595-A1 QUINAZOLINONE AND ISOQUINOLINONE DERIVATIVE NQO2, SDHA, CYP3A5 KMT2A 2733/4885LMNA 3526/4885CYP1A2 59/4885
US-20070173519-A1 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAPKAPK5, MAPKAPK3 KMT2A 979/4885LMNA 4673/4885CYP1A2 3758/4885
US-10005739-B2 Quinazolinone and isoquinolinone derivative NQO2, SDHA, CYP3A5 KMT2A 2733/4885LMNA 3526/4885CYP1A2 59/4885
US-20190054067-A1 COMPOSITIONS AND METHODS FOR TREATING COMPULSIVE-LIKE BEHAVIOR IN A SUBJECT CHRNA4, CHRNA5, CHRNE KMT2A 400/4885LMNA 4852/4885CYP1A2 2611/4885

“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.