SCHEMBL6170833

SCHEMBL6170833

S=C1CCCC(c2ccc(Br)cc2)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
ALOX12 P18054 2/20 0.35
HTT P42858 1/20 0.35
KDM1A O60341 5/20 0.33
KCNH2 Q12809 2/20 0.33
MAOB P27338 2/20 0.33
RCOR1 Q9UKL0 2/20 0.33
KDM1B Q8NB78 1/20 0.33
DGAT1 O75907 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
SCHEMBL6168920 0.81 ALDH1A1 (0.37) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL2199831 0.79 SMN1; SMN2 (0.41) CYP19A1SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL16166424 0.73 CHRNB2 (0.44) MEN1KMT2AALDH1A1HPGDTDP1
SCHEMBL4142288 0.70 PDE4A (0.44) SMN1; SMN2MEN1KMT2ACYP3A4CYP2C9
SCHEMBL22201147 0.70 PDE4A (0.44) SMN1; SMN2MEN1KMT2ACYP3A4CYP2C9
SCHEMBL482061 0.70 PDE4A (0.44) SMN1; SMN2MEN1KMT2ACYP3A4CYP2C9
SCHEMBL1778807 0.69 CHRNB2 (0.50) SMN1; SMN2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL1117897 0.69 CHRNB2 (0.50) SMN1; SMN2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL22201133 0.69 ALDH1A1 (0.39) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6170474 0.69 ALDH1A1 (0.39) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1129071-B1 PHENYL-SUBSTITUTED CYCLIC ENAMINONES BAYER CROPSCIENCE AG (DE) 2005-10-26 EP disclosed
US-20030130125-A1 Phenyl-substituted cyclic enaminones FISCHER REINER (DE) 2003-07-10 US disclosed
US-6455472-B1 HERBICIDES, ACARICIDES, NEMATICIDES AND INSECTICIDES FOR CROPS BAYER AKTIENGESELLSCHAFT (DE) 2002-09-24 US disclosed
EP-1129071-A1 PHENYL-SUBSTITUTED CYCLIC ENAMINONES Bayer Aktiengesellschaft (DE) 2001-09-05 EP disclosed
WO-2000027812-A1 PHENYL-SUBSTITUTED CYCLIC ENAMINONES BAYER AKTIENGESELLSCHAFT (DE) 2000-05-18 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-20030130125-A1 Phenyl-substituted cyclic enaminones DDT, CYP19A1, KCNA1 CYP19A1 2/4885SMN1; SMN2 3366/4885MEN1 2817/4885

“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.