SCHEMBL20299019

SCHEMBL20299019

CC1=C(C)C(O)N(c2nc(C)nn2C)C1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.33
NPC1 O15118 1/20 0.33
KDM4A O75164 1/20 0.33
S1PR2 O95136 1/20 0.33
TDP2 O95551 1/20 0.33
ABL1 P00519 1/20 0.33
LMNA P02545 1/20 0.33
RAF1 P04049 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
MPI P34949 1/20 0.33
RAB9A P51151 1/20 0.33
GALK1 P51570 1/20 0.33
BLM P54132 1/20 0.33
SMAD3 P84022 1/20 0.33
MAP2K1 Q02750 1/20 0.33
RIN1 Q13671 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL20299184 0.74 KDM4E (0.33) NPC1KDM4AABL1LMNATP53
SCHEMBL20331644 0.73
SCHEMBL20299009 0.71 SMN1; SMN2 (0.39) APAF1NPC1KDM4AS1PR2TDP2
SCHEMBL20330560 0.69 USP2 (0.38)
SCHEMBL20299208 0.68 ALDH1A1 (0.32) POLBMAPTL3MBTL1
SCHEMBL20299047 0.68
SCHEMBL22585784 0.65 ADRA2C (0.32)
SCHEMBL17047652 0.64 NPC1 (0.30) NPC1TP53RAB9ASMN1; SMN2
SCHEMBL17047692 0.63 RAB9A (0.42) NPC1LMNATP53POLBMAPT
SCHEMBL21534417 0.62 ALDH1A1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190330192-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2019-10-31 US disclosed
US-20190330192-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2019-10-31 US disclosed
EP-3558976-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES Bayer CropScience Aktiengesellschaft (DE) 2019-10-30 EP disclosed
WO-2018114663-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 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-20190330192-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES AGPS, AASDHPPT, HPD APAF1 3291/4885NPC1 4817/4885KDM4A 758/4885

“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.