SCHEMBL13072005

SCHEMBL13072005

O=C(c1[nH]c(-c2cccc3ccccc23)nc1F)N1CCN(C2CCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
ACACB O00763 4/20 0.42
ACACA Q13085 4/20 0.42
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.40
HRH3 Q9Y5N1 3/20 0.40
MBTD1 Q05BQ5 1/20 0.40
TP53BP1 Q12888 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PARP1 P09874 3/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL14545934 0.89 KDM4E (0.43) KDM4EALDH1A1MEN1KMT2AHIF1A
SCHEMBL3400872 0.88 LMNA (0.46) KDM4EALDH1A1MEN1KMT2AHIF1A
SCHEMBL3405422 0.86 LMNA (0.48) KDM4EALDH1A1MEN1KMT2AHIF1A
SCHEMBL5554900 0.81 HTR2C (0.43) KDM4EALDH1A1MEN1KMT2AHIF1A
SCHEMBL14545939 0.80 ACACB (0.44) KDM4EALDH1A1MEN1KMT2AHIF1A
SCHEMBL14546059 0.79 HRH3 (0.46) KDM4EALDH1A1MEN1KMT2AHIF1A
SCHEMBL3405430 0.78 ACACB (0.47) KDM4EALDH1A1MEN1KMT2AHIF1A
SCHEMBL3402170 0.75 HTR2C (0.47) KDM4EALDH1A1MEN1KMT2AHIF1A
SCHEMBL3404758 0.73 HTR2C (0.47) KDM4EALDH1A1MEN1KMT2AHIF1A
SCHEMBL3399637 0.71 HTR2C (0.48) KDM4EALDH1A1MEN1KMT2AHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues LIGAND PHARMACEUTICALS, INC. (US) 2010-11-25 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 (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-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues HRH3, HRH4, HRH2 KDM4E 3449/4885ALDH1A1 916/4885MEN1 1347/4885

“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.