SCHEMBL5019473

SCHEMBL5019473

O=C1COC2(CCN(S(=O)(=O)c3ccc(-c4ccc(-c5nn[nH]n5)cc4)cc3)CC2)CN1C1CC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FASN P49327 5/20 0.62
GAA P10253 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AKR1C3 P42330 2/20 0.36
SFRP1 Q8N474 1/20 0.35
HSD11B1 P28845 1/20 0.35
LMNA P02545 1/20 0.35
ADH5 P11766 1/20 0.34
AKR1C4 P17516 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
XDH P47989 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
SCHEMBL4542467 0.84 FASN (0.62) FASNALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4539490 0.83 FASN (0.70) FASNGAAALDH1A1MEN1KMT2A
SCHEMBL4541301 0.83 FASN (0.68) FASNGAAALDH1A1MEN1KMT2A
SCHEMBL5019467 0.83 FASN (0.63) FASNALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4561699 0.81 FASN (0.67) FASNALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4541477 0.81 FASN (0.66) FASNGAAALDH1A1MEN1KMT2A
SCHEMBL4561867 0.80 FASN (0.64) FASNALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4561314 0.80 FASN (0.64) FASNALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4536313 0.79 FASN (0.63) FASNALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4536476 0.79 FASN (0.80) FASNALDH1A1MEN1KMT2ASMN1; SMN2

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 2790/4885GAA 110/4885ALDH1A1 934/4885
US-20130237535-A1 FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 FASN 1/4885GAA 1747/4885ALDH1A1 199/4885

“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.