SCHEMBL439591

SCHEMBL439591

O=C(NCCNC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1cn(-c2ccccc2)nc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.55
DGAT1 O75907 8/20 0.49
UBE2M P61081 7/20 0.47
DCUN1D1 Q96GG9 7/20 0.47
TP53 P04637 2/20 0.47
LMNA P02545 3/20 0.45
GAA P10253 2/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 2/20 0.44
PKM P14618 1/20 0.44
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL440584 0.87 DGAT1 (0.50) CHRM4DGAT1
SCHEMBL440581 0.83 DGAT1 (0.60) DGAT1ALDH1A1
SCHEMBL438636 0.82 DGAT1 (0.58) DGAT1ALDH1A1
Hydrochloric Acid SCHEMBL437988 0.81 DGAT1 (0.58) DGAT1ALDH1A1
SCHEMBL463631 0.81 DGAT1 (0.58) CHRM4DGAT1
SCHEMBL4918435 0.81 DGAT1 (0.56) DGAT1POLBMEN1KMT2A
SCHEMBL439487 0.80 DGAT1 (0.49) DGAT1POLBALDH1A1
SCHEMBL437998 0.80 DGAT1 (0.62) DGAT1
SCHEMBL439496 0.80 DGAT1 (0.58) CHRM4DGAT1
SCHEMBL441132 0.80 DGAT1 (0.59) DGAT1POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT CHRM4 4492/4885DGAT1 2/4885UBE2M 4397/4885

“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.