SCHEMBL3380130

SCHEMBL3380130

COC(=N)c1ccccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.57
TSHR P16473 3/20 0.57
NPC1 O15118 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 8/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HIF1A Q16665 3/20 0.43
GAA P10253 3/20 0.43
MPO P05164 1/20 0.43
HPGD P15428 9/20 0.43
ALDH1A1 P00352 7/20 0.43
CA2 P00918 4/20 0.43
CA1 P00915 3/20 0.43
CA12 O43570 3/20 0.43
CA14 Q9ULX7 3/20 0.43
TP53 P04637 3/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA4 P22748 2/20 0.43

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
Hydrochloric Acid SCHEMBL3380129 0.98 LMNA (0.55) LMNATSHRNPC1MEN1KMT2A
Hydrochloric Acid SCHEMBL26618193 0.83 TSHR (0.41) LMNATSHRNPC1KMT2AKDM4E
SCHEMBL10855093 0.77 TSHR (0.48) LMNATSHRNPC1MEN1KMT2A
SCHEMBL12980713 0.76 LMNA (0.61) LMNATSHRNPC1MEN1KMT2A
SCHEMBL1438711 0.76 LMNA (0.55) LMNATSHRNPC1MEN1KMT2A
SCHEMBL1438716 0.76 LMNA (0.55) LMNATSHRNPC1MEN1KMT2A
SCHEMBL8784070 0.76 GAA (0.48) LMNANPC1MEN1KMT2AKDM4E
SCHEMBL11080638 0.76 POLB (0.47) TSHRNPC1KMT2AHPGDALDH1A1
SCHEMBL8077219 0.76 CTSD (0.53) LMNATSHRNPC1SMN1; SMN2GAA
Hydrochloric Acid SCHEMBL1823566 0.74 CTSD (0.52) LMNATSHRNPC1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113646317-A Metal complexes 默克专利有限公司 2021-11-12 CN disclosed
EP-2473486-B1 PYRIMIDINES AS HEPCIDINE ANTAGONISTS VIFOR INT AG (CH) 2015-10-28 EP disclosed
US-20120202806-A1 Novel Pyrimidine- And Triazine-Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-09 US disclosed
US-20120202806-A1 Novel Pyrimidine- And Triazine-Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-09 US disclosed
CN-102482232-A Novel pyrimidine and triazine hepcidin antagonists VIFOR INT AG 2012-05-30 CN disclosed
EP-1615897-B1 PYRIMIDINONE COMPOUNDS AS CALCILYTICS NPS PHARMA INC (US) 2010-11-24 EP disclosed
US-7491728-B2 Pyrimidinone compounds as calcilytics SMITHKLINE BEECHAM CORP. (US) 2009-02-17 US disclosed
EP-1615897-A4 PYRIMIDINONE COMPOUNDS AS CALCILYTICS NPS PHARMA INC (US) 2008-07-23 EP disclosed
US-20070197555-A1 Pyrimidinone Compounds As Calcilytics GLAXOSMITHKLINE LLC 2007-08-23 US disclosed
EP-1615897-A2 PYRIMIDINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2006-01-18 EP disclosed
WO-2004092120-A2 PYRIMIDINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2004-10-28 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 (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-20120202806-A1 Novel Pyrimidine- And Triazine-Hepcidine Antagonists HAMP, DHPS, SLC40A1 LMNA 4333/4885TSHR 851/4885NPC1 2222/4885
US-20070197555-A1 Pyrimidinone Compounds As Calcilytics TYMP, DPYD, UMPS LMNA 2078/4885TSHR 3381/4885NPC1 2000/4885

“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.