SCHEMBL1273553

SCHEMBL1273553

C[C@@]1(N)CCCc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.66
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
AKR1B1 P15121 1/20 0.44
MAOB P27338 1/20 0.43
SIGMAR1 Q99720 4/20 0.42
EBP Q15125 1/20 0.42
HTR2A P28223 2/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
DRD2 P14416 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR2C P28335 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR2B P41595 1/20 0.41
MTOR P42345 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
SCHEMBL643388 1.00 KDM1A (0.66) KDM1AMEN1KMT2AAKR1B1MAOB
SCHEMBL31278806 0.88 KDM1A (0.55) KDM1AMEN1KMT2AMAOBSIGMAR1
SCHEMBL7441079 0.88 KDM1A (0.55) KDM1AMEN1KMT2AMAOBSIGMAR1
SCHEMBL18088758 0.88 KDM1A (0.55) KDM1AMEN1KMT2AMAOBSIGMAR1
SCHEMBL2464182 0.88 KDM1A (0.55) KDM1AMEN1KMT2AMAOBSIGMAR1
Hydrochloric Acid SCHEMBL26916642 0.86 KDM1A (0.53) KDM1AMEN1KMT2AMAOBSIGMAR1
Propane SCHEMBL27768603 0.82 KDM1A (0.50) KDM1AMEN1KMT2AMAOBSIGMAR1
SCHEMBL17988045 0.79 KDM1A (1.00) KDM1AMEN1KMT2AAKR1B1MAOB
SCHEMBL578812 0.79 KDM1A (0.59) KDM1AMEN1KMT2AAKR1B1MAOB
SCHEMBL1101137 0.79 KDM1A (0.59) KDM1AMEN1KMT2AAKR1B1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464630-B1 MICROBIOCIDAL HETEROCYCLES SYNGENTA PARTICIPATIONS AG (CH) 2016-05-25 EP disclosed
US-20130144064-A1 MICROBIOCIDAL HETEROCYCLES SYNGENTA CROP PROTECTION, LLC (US) 2013-06-06 US disclosed
US-8367844-B2 Microbiocidal heterocycles SYNGENTA CROP PROTECTION LLC (US) 2013-02-05 US disclosed
EP-2464630-A2 MICROBIOCIDAL HETEROCYCLES Syngenta Participations AG (CH) 2012-06-20 EP disclosed
US-20120142698-A1 MICROBIOCIDAL HETEROCYCLES SYNGENTA CROP PROTECTION, LLC (US) 2012-06-07 US disclosed
WO-2011018415-A2 MICROBIOCIDAL HETEROCYCLES SYNGENTA PARTICIPATIONS AG (CH) 2011-02-17 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-20120142698-A1 MICROBIOCIDAL HETEROCYCLES CBR1, NOX1, CBR3 KDM1A 1541/4885MEN1 2163/4885KMT2A 4420/4885
US-20130144064-A1 MICROBIOCIDAL HETEROCYCLES CBR1, NOX1, CX3CR1 KDM1A 1550/4885MEN1 2183/4885KMT2A 4365/4885

“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.