SCHEMBL16962641

SCHEMBL16962641

Nc1c(C=NO)ccc2ncccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.58
▸ HTT P42858 4/20 0.58
▸ HSP90AA1 P07900 4/20 0.58
▸ HSP90AB1 P08238 3/20 0.58
▸ LMNA P02545 2/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ BLM P54132 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ KDM4E B2RXH2 5/20 0.50
▸ ERN1 O75460 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CASP1 P29466 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ FGF23 Q9GZV9 1/20 0.40
▸ NCF1 P14598 1/20 0.39
▸ HPGD P15428 2/20 0.38

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
SCHEMBL16962638 1.00 MAPT (0.58) MAPTHTTHSP90AA1HSP90AB1LMNA
SCHEMBL16962661 0.79 KDM4E (0.50) MAPTHTTHSP90AA1HSP90AB1LMNA
SCHEMBL16962659 0.79 KDM4E (0.50) MAPTHTTHSP90AA1HSP90AB1LMNA
SCHEMBL2456594 0.77 KMT2A (0.63) MAPTHTTHSP90AA1HSP90AB1LMNA
SCHEMBL15841249 0.75 MAPT (0.53) MAPTHTTHSP90AA1LMNAMEN1
SCHEMBL3652492 0.75 MAPT (0.53) MAPTHTTHSP90AA1LMNAMEN1
SCHEMBL3652495 0.75 MAPT (0.53) MAPTHTTHSP90AA1LMNAMEN1
SCHEMBL509268 0.74 AMY1A (0.57) MAPTHTTLMNAMEN1KMT2A
SCHEMBL7846678 0.74 HSP90AA1 (0.66) MAPTHTTHSP90AA1HSP90AB1LMNA
SCHEMBL509267 0.74 AMY1A (0.57) MAPTHTTLMNAMEN1KMT2A

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-9776993-B2 Nitrogen-containing heterocyclic compounds for plant disease control BAYER CROPSCIENCE AG (DE) 2017-10-03 — — US claimed
US-20170057951-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR PLANT DISEASE CONTROL BAYER CROPSCIENCE AG 2017-03-02 — — US claimed
US-20150216172-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR PLANT DISEASE CONTROL BAYER CROPSCIENCE AG (DE) 2015-08-06 — — US claimed
US-9776993-B2 Nitrogen-containing heterocyclic compounds for plant disease control BAYER CROPSCIENCE AG (DE) 2017-10-03 — — US disclosed
US-20170057951-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR PLANT DISEASE CONTROL BAYER CROPSCIENCE AG 2017-03-02 — — US disclosed
US-9510598-B2 Nitrogen-containing heterocyclic compounds for plant disease control BAYER CROPSCIENCE AG (DE) 2016-12-06 — — US disclosed
EP-2900661-B1 QUINOLINE ISOXAZOLIN DERIVATIVES FOR PLANT DISEASE CONTROL BAYER CROPSCIENCE AG (DE) 2016-10-26 — — EP disclosed
US-20150216172-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR PLANT DISEASE CONTROL BAYER CROPSCIENCE AG (DE) 2015-08-06 — — US disclosed
EP-2900661-A2 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR PLANT DISEASE CONTROL Bayer CropScience AG (DE) 2015-08-05 — — EP 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-20150216172-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR PLANT DISEASE CONTROL NOD1, BROX, CBR3 MAPT 1198/4885HTT 919/4885HSP90AA1 2952/4885
US-20170057951-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR PLANT DISEASE CONTROL NOD1, BROX, CBR3 MAPT 1198/4885HTT 919/4885HSP90AA1 2952/4885

“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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