SCHEMBL1903558

SCHEMBL1903558

CC(=O)NCc1cccc(CO)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 1/20 0.49
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
KIF11 P52732 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
MTNR1B P49286 1/20 0.47
MAPT P10636 4/20 0.46
POLB P06746 3/20 0.46
ESR1 P03372 1/20 0.46

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
SCHEMBL29675845 1.00 NPSR1 (0.50) NPSR1ALDH1A1KMT2AHPGDHDAC1
SCHEMBL1899410 0.92 NPSR1 (0.57) NPSR1ALDH1A1KMT2AHPGDHDAC1
SCHEMBL13039575 0.85 HDAC1 (0.51) NPSR1ALDH1A1KMT2AHPGDHDAC1
SCHEMBL4341722 0.85 CYP1A2 (0.58) NPSR1ALDH1A1KMT2AHPGDHDAC1
SCHEMBL14174608 0.85 NOS1 (0.51) NPSR1ALDH1A1KMT2AHPGDHDAC1
SCHEMBL17123631 0.84 NPSR1 (0.49) NPSR1ALDH1A1KMT2AHPGDHDAC1
SCHEMBL20825144 0.84 ALDH1A1 (0.51) NPSR1ALDH1A1KMT2AHPGDHDAC1
SCHEMBL31168314 0.84 CYP1A2 (0.56) NPSR1ALDH1A1KMT2AHPGDHDAC1
SCHEMBL4927953 0.84 CYP1A2 (0.56) NPSR1ALDH1A1KMT2AHPGDHDAC1
SCHEMBL3368486 0.83 TSHR (0.59) ALDH1A1KMT2AHPGDHDAC6HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110372703-A Five-ring heterocycles miazines compound and application thereof 罗欣生物科技(上海)有限公司 2019-10-25 CN disclosed
CN-107235981-B Hypoxemia activates O6- benzyl -2- nitro purine derivative and preparation method and application 北京工业大学 2019-10-25 CN disclosed
CN-107235981-A The nitro purine derivative of hypoxemia activation O6 benzyls 2 and preparation method and application 北京工业大学 2017-10-10 CN disclosed
EP-2493862-B1 IMIDAZOLE DERIVATIVES AS IDO INHIBITORS NEWLINK GENETICS CORP (US) 2016-10-05 EP disclosed
US-8722720-B2 Imidazole derivatives as IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-05-13 US disclosed
US-8722720-B2 Imidazole derivatives as IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-05-13 US disclosed
US-8722720-B2 Imidazole derivatives as IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-05-13 US disclosed
US-20120277217-A1 Imidazole Derivatives as IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2012-11-01 US disclosed
US-20120277217-A1 Imidazole Derivatives as IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2012-11-01 US disclosed
US-20120277217-A1 Imidazole Derivatives as IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2012-11-01 US disclosed
EP-2493862-A1 IMIDAZOLE DERIVATIVES AS IDO INHIBITORS Newlink Genetics Corporation (US) 2012-09-05 EP disclosed
WO-2011056652-A1 IMIDAZOLE DERIVATIVES AS IDO INHIBITORS NEWLINK GENETICS (US) 2011-05-12 WO disclosed
WO-2011056652-A1 IMIDAZOLE DERIVATIVES AS IDO INHIBITORS NEWLINK GENETICS (US) 2011-05-12 WO disclosed
WO-2007071455-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES , THEIR PREPARATION AND USE AS DRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-06-28 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-20120277217-A1 Imidazole Derivatives as IDO Inhibitors IDO1, IDO2, INMT NPSR1 3389/4885ALDH1A1 705/4885KMT2A 558/4885

“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.