SCHEMBL4561867

SCHEMBL4561867

Nc1n[nH]c2ccc(-c3ccc(S(=O)(=O)N4CCC5(CC4)CN(C4CC4)C(=O)CO5)cc3)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 5/20 0.64
JAK2 O60674 12/20 0.59
JAK3 P52333 4/20 0.41
LRRK2 Q5S007 1/20 0.39
PLK4 O00444 3/20 0.38
DAPK3 O43293 3/20 0.38
DYRK3 O43781 3/20 0.38
ROCK2 O75116 3/20 0.38
MAP4K4 O95819 3/20 0.38
CDK1 P06493 3/20 0.38
CDK2 P24941 3/20 0.38
MARK3 P27448 3/20 0.38
TYK2 P29597 3/20 0.38
CLK2 P49760 3/20 0.38
CDK5 Q00535 3/20 0.38
PRKCD Q05655 3/20 0.38
ROCK1 Q13464 3/20 0.38
DYRK1A Q13627 3/20 0.38
PKN2 Q16513 3/20 0.38
MARK2 Q7KZI7 3/20 0.38

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
SCHEMBL4561314 0.93 FASN (0.64) FASNJAK2CDK19SMN1; SMN2MEN1
SCHEMBL4559908 0.83 FASN (0.73) FASNJAK2SMN1; SMN2MEN1ALDH1A1
SCHEMBL22259676 0.83 FASN (0.57) FASNJAK2CDK2GSK3A
SCHEMBL4542078 0.83 FASN (0.71) FASNJAK2CDK2SMN1; SMN2MEN1
SCHEMBL4566237 0.83 FASN (0.64) FASNJAK2CDK2AURKBSMN1; SMN2
SCHEMBL4561698 0.82 FASN (0.69) FASNJAK2SMN1; SMN2MEN1ALDH1A1
SCHEMBL15239227 0.82 FASN (0.56) FASNJAK2SMN1; SMN2MEN1ALDH1A1
SCHEMBL4560675 0.81 FASN (0.70) FASNJAK2SMN1; SMN2MEN1ALDH1A1
SCHEMBL4566568 0.81 FASN (0.64) FASNJAK2CDK2CDK19SMN1; SMN2
SCHEMBL4539490 0.81 FASN (0.70) FASNSMN1; SMN2MEN1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2637660-A1 FATTY ACID SYNTHASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2013-09-18 EP claimed
US-20130237535-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2013-09-12 US claimed
WO-2012064642-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-05-18 WO claimed
WO-2020150423-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS YUMANITY THERAPEUTICS, INC. (US) 2020-07-23 WO disclosed
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-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2020-07-16 US disclosed
EP-2637660-A1 FATTY ACID SYNTHASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2013-09-18 EP 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
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
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 2790/4885JAK2 4114/4885JAK3 3905/4885
US-20130237535-A1 FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 FASN 1/4885JAK2 3409/4885JAK3 4670/4885

“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.