SCHEMBL1880745

SCHEMBL1880745

[NH]c1ccc2oc(=O)[nH]c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.61
NOS3 P29474 3/20 0.61
NOS2 P35228 3/20 0.61
LMNA P02545 1/20 0.61
CYP1A2 P05177 1/20 0.61
ADRA2A P08913 1/20 0.61
TSHR P16473 1/20 0.61
THPO P40225 1/20 0.61
BLM P54132 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
OGT O15294 1/20 0.53
PDE3B Q13370 2/20 0.53
PDE3A Q14432 2/20 0.53
KMO O15229 1/20 0.50
POLB P06746 1/20 0.47
CREBBP Q92793 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
IDH1 O75874 1/20 0.37
SYK P43405 1/20 0.37

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
SCHEMBL993598 0.84 NOS1 (0.61) NOS1NOS3NOS2LMNACYP1A2
Chlorzoxazone SCHEMBL29720120 0.76 NOS1 (1.00) NOS1NOS3NOS2LMNACYP1A2
SCHEMBL240915 0.76 NOS1 (0.61) NOS1NOS3NOS2LMNACYP1A2
SCHEMBL29748363 0.76 NOS1 (0.61) NOS1NOS3NOS2LMNACYP1A2
Chlorzoxazone SCHEMBL35178 0.76 NOS1 (1.00) NOS1NOS3NOS2LMNACYP1A2
SCHEMBL29507017 0.76 NOS1 (0.61) NOS1NOS3NOS2LMNACYP1A2
SCHEMBL30282769 0.76 NOS1 (0.61) NOS1NOS3NOS2LMNACYP1A2
SCHEMBL5543509 0.76 NOS1 (0.61) NOS1NOS3NOS2LMNACYP1A2
SCHEMBL221802 0.76 NOS1 (0.61) NOS1NOS3NOS2LMNACYP1A2
SCHEMBL243203 0.76 NOS1 (1.00) NOS1NOS3NOS2LMNACYP1A2

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-20110230478-A1 4-Alkyl-substituted diaminopyrimidines Bayer ScienceCrop AG (DE) 2011-09-22 US claimed
US-20110105472-A1 Diaminopyrimidines as crop protection agents BAYER CROPSCIENCE AG (DE) 2011-05-05 US claimed
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines Bayer ScienceCrop AG (DE) 2011-09-22 US disclosed
US-20110105472-A1 Diaminopyrimidines as crop protection agents BAYER CROPSCIENCE AG (DE) 2011-05-05 US 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-20110230478-A1 4-Alkyl-substituted diaminopyrimidines DPM1, DPYD, POLR1C NOS1 2382/4885NOS3 1175/4885NOS2 2599/4885
US-20110105472-A1 Diaminopyrimidines as crop protection agents DDX41, DDX1, DDX5 NOS1 1431/4885NOS3 2655/4885NOS2 2245/4885

“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.