SCHEMBL5019455

SCHEMBL5019455

O=C1COC2(CCN(S(=O)(=O)c3ccc(-c4cccc(-c5cc[nH]n5)c4)cc3)CC2)CN1C1CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 5/20 0.64
ALDH1A1 P00352 5/20 0.37
MAPK1 P28482 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR2B P41595 4/20 0.36
USP2 O75604 3/20 0.36
HSD17B10 Q99714 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HIF1A Q16665 2/20 0.36
HPGD P15428 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C1 Q04828 1/20 0.35
JAK2 O60674 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL5019467 0.93 FASN (0.63) FASNALDH1A1MAPK1MEN1KMT2A
SCHEMBL4561891 0.84 FASN (0.67) FASNALDH1A1MAPK1MEN1KMT2A
SCHEMBL4539490 0.84 FASN (0.70) FASNALDH1A1MAPK1MEN1KMT2A
SCHEMBL4537869 0.83 FASN (0.68) FASNALDH1A1MAPK1MEN1KMT2A
SCHEMBL4540338 0.83 FASN (0.65) FASNALDH1A1MAPK1MEN1KMT2A
SCHEMBL4560675 0.82 FASN (0.70) FASNALDH1A1MAPK1MEN1KMT2A
SCHEMBL4538702 0.81 FASN (0.65) FASNALDH1A1MAPK1MEN1KMT2A
SCHEMBL4561698 0.81 FASN (0.69) FASNALDH1A1MAPK1MEN1KMT2A
SCHEMBL4538721 0.81 FASN (0.79) FASNALDH1A1MAPK1MEN1KMT2A
SCHEMBL4561867 0.80 FASN (0.64) FASNALDH1A1MAPK1MEN1KMT2A

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
WO-2020150423-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS YUMANITY THERAPEUTICS, INC. (US) 2020-07-23 WO disclosed
US-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2020-07-16 US disclosed
US-20130237535-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2013-09-12 US disclosed
US-20130237535-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2013-09-12 US disclosed
WO-2012064642-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-05-18 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 (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-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC FASN 2790/4885ALDH1A1 934/4885MAPK1 4594/4885
US-20130237535-A1 FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 FASN 1/4885ALDH1A1 199/4885MAPK1 2594/4885

“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.