SCHEMBL6998034

SCHEMBL6998034

O=C(O)C(=O)c1ccncc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.64
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
CPT1B Q92523 1/20 0.54
ALDH1A1 P00352 3/20 0.52
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
PLOD2 O00469 1/20 0.50
PLOD3 O60568 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
PLOD1 Q02809 1/20 0.50
HIF1A Q16665 1/20 0.50
KDM4E B2RXH2 2/20 0.48
MPO P05164 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CYP2A6 P11509 1/20 0.48
HTT P42858 1/20 0.47

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
Water SCHEMBL6728314 0.97 NAPRT (0.61) NAPRTKMT2AMEN1CPT1BALDH1A1
SCHEMBL2783342 0.86 NAPRT (0.65) NAPRTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL3074392 0.82 KMT2A (0.74) NAPRTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL7611819 0.80 CPT1B (0.78) CPT1BCES2CES1TP53
SCHEMBL7991738 0.78 NAPRT (0.50) NAPRTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL7991741 0.78 NAPRT (0.50) NAPRTKMT2AMEN1ALDH1A1CYP1A2
Isonicotinic Acid SCHEMBL1108 0.78
Isonicotinic Acid SCHEMBL1414914 0.78 NAPRT (1.00) NAPRTKMT2AMEN1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL29249310 0.77 CPT1B (0.74) CPT1BCES2CES1TP53
SCHEMBL9671846 0.77 NAPRT (0.54) NAPRTKMT2AMEN1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170296681-A1 COMPOSITIONS AND METHODS FOR IMAGING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-10-19 US disclosed
US-20130209360-A1 Compositions and Methods for Imaging THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-08-15 US disclosed
EP-1021448-B1 TRICYCLIC COMPOUNDS HAVING ACTIVITY AS Ras-FPT INHIBITORS SCHERING CORP (US) 2003-05-02 EP disclosed
US-6130229-A Tricyclic compounds having activity as RAS-FPT inhibitors SCHERING CORPORATION (US) 2000-10-10 US disclosed
EP-1021448-A1 TRICYCLIC COMPOUNDS HAVING ACTIVITY AS Ras-FPT INHIBITORS SCHERING CORPORATION (US) 2000-07-26 EP disclosed
WO-1998015556-A1 TRICYCLIC COMPOUNDS HAVING ACTIVITY AS Ras-FPT INHIBITORS SCHERING CORPORATION (US) 1998-04-16 WO disclosed
EP-0173497-B1 TETRACYCLIC SPIRO-HYDANTOIN ALDOSE REDUCTASE INHIBITORS PFIZER INC. (US) 1989-09-06 EP disclosed
US-4656169-A ENZYME INHIBITORS PFIZER INC. (US) 1987-04-07 US disclosed
WO-1986001107-A1 TETRACYCLIC SPIRO-HYDANTOIN ALDOSE REDUCTASE INHIBITORS, COMPOSITIONS AND METHODS OF MAKING PFIZER INC. (US) 1986-02-27 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-20170296681-A1 COMPOSITIONS AND METHODS FOR IMAGING GPX4, PRDX5, PRDX2 NAPRT 3098/4885KMT2A 4652/4885MEN1 1217/4885
US-20130209360-A1 Compositions and Methods for Imaging GPX4, PRDX5, PRDX2 NAPRT 3098/4885KMT2A 4652/4885MEN1 1217/4885

“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.