SCHEMBL1936616

SCHEMBL1936616

COc1cc(N)cc(N2CCCC2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
TP53 P04637 2/20 0.48
HTT P42858 1/20 0.47
HIF1A Q16665 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
KMT2A Q03164 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL11116902 0.90 TP53 (0.52) LMNATP53HTTHIF1ANPSR1
SCHEMBL24262954 0.85 F10 (0.48) LMNATP53HTTHIF1ANPSR1
SCHEMBL7816033 0.84 TP53 (0.48) LMNATP53HTTHIF1ANPSR1
SCHEMBL5224872 0.81 ALDH1A1 (0.61) LMNATP53HTTHIF1ANPSR1
SCHEMBL609306 0.80 TP53 (0.59) LMNATP53HTTHIF1ANPSR1
SCHEMBL29930365 0.80 TP53 (0.59) LMNATP53HTTHIF1ANPSR1
SCHEMBL5218738 0.80 KMT2A (0.53) LMNATP53HTTHIF1ANPSR1
SCHEMBL11116125 0.79 NPC1 (0.60) TP53HTTHIF1ANPSR1ALDH1A1
SCHEMBL20794654 0.79 ALDH1A1 (0.51) LMNATP53HTTHIF1ANPSR1
SCHEMBL1937159 0.79 TP53 (0.46) LMNATP53HTTHIF1ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245242-A1 Heterocyclically Substituted Anilinopyrimides BAYER CROPSCIENCE AG (DE) 2011-10-06 US disclosed
EP-2331524-A1 HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES Bayer CropScience AG (DE) 2011-06-15 EP disclosed
WO-2010025831-A1 HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-03-11 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-20110245242-A1 Heterocyclically Substituted Anilinopyrimides H1-10, POLL, PPM1D LMNA 3161/4885TP53 88/4885HTT 567/4885

“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.