SCHEMBL1202412

SCHEMBL1202412

O/N=C/c1cccnc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.47
▸ FGF23 Q9GZV9 1/20 0.47
▸ NFE2L2 Q16236 9/20 0.41
▸ HPGD P15428 3/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL1202413 1.00 ALDH1A1 (0.47) ALDH1A1FGF23NFE2L2HPGDKMT2A
Hydrochloric Acid SCHEMBL4048083 0.98 ALDH1A1 (0.46) ALDH1A1FGF23NFE2L2HPGDKMT2A
SCHEMBL9769039 0.80 NFE2L2 (0.45) ALDH1A1NFE2L2KMT2ARAB9ALMNA
2-Chloronicotinaldehyde SCHEMBL715765 0.79 — —
2-Chloronicotinaldehyde SCHEMBL29828177 0.79 — —
2-Chloronicotinaldehyde SCHEMBL30893972 0.78 TRIM24 (0.53) NFE2L2KMT2AMEN1NPC1RAB9A
SCHEMBL20597363 0.78 FGF23 (0.61) ALDH1A1FGF23HPGDKMT2AMEN1
SCHEMBL4638902 0.77 NFE2L2 (0.40) ALDH1A1NFE2L2KMT2AMAPTRAB9A
SCHEMBL2120978 0.76 FGF23 (0.55) ALDH1A1FGF23HPGDKMT2AMEN1
SCHEMBL509268 0.76 AMY1A (0.57) ALDH1A1FGF23HPGDKMT2AMEN1

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
US-20110028318-A1 HERBICIDAL COMPOUNDS BASED ON N-AZINYL-N'-PYRIDYLSULPHONYLUREAS BAYER CROPSCIENCE AG (DE) 2011-02-03 — — US disclosed
US-20110028318-A1 HERBICIDAL COMPOUNDS BASED ON N-AZINYL-N'-PYRIDYLSULPHONYLUREAS BAYER CROPSCIENCE AG (DE) 2011-02-03 — — US disclosed
US-20110028318-A1 HERBICIDAL COMPOUNDS BASED ON N-AZINYL-N'-PYRIDYLSULPHONYLUREAS BAYER CROPSCIENCE AG (DE) 2011-02-03 — — US disclosed
WO-2009080182-A1 HERBICIDAL COMPOUNDS BASED ON N-AZINYL-N'-PYRIDYLSULPHONYLUREAS BAYER CROPSCIENCE AG (DE) 2009-07-02 — — WO disclosed
EP-2072512-A1 Herbicide compounds based on N-Azinyl-N'-pyridylsulfonyl-ureas Bayer CropScience AG (DE) 2009-06-24 — — EP disclosed
EP-1501808-B1 TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-07-02 — — EP disclosed
US-7037921-B2 Useful for inhibiting resistant neoplasms where the resistance is conferred in part or in total by multidrug resistance protein MRP1 ELI LILLY AND COMPANY (US) 2006-05-02 — — US disclosed
EP-1392702-B1 COMPOUNDS AND METHODS FOR INHIBITING MRP1 LILLY CO ELI (US) 2005-11-30 — — EP disclosed
US-20040097507-A1 Compounds and methods for inhibiting mrp1 BONJOUKLIAN ROSANNE (US) 2004-05-20 — — US disclosed
EP-1392702-A1 COMPOUNDS AND METHODS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2004-03-03 — — EP disclosed
WO-2002081482-A1 COMPOUNDS AND METHODS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2002-10-17 — — 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-20040097507-A1 Compounds and methods for inhibiting mrp1 ABCC1, ABCB1, ABCB11 ALDH1A1 212/4885FGF23 4540/4885NFE2L2 967/4885
US-20110028318-A1 HERBICIDAL COMPOUNDS BASED ON N-AZINYL-N'-PYRIDYLSULPHONYLUREAS DDT, AZI2, DNPH1 ALDH1A1 133/4885FGF23 3795/4885NFE2L2 714/4885

“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.

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