SCHEMBL4540409

SCHEMBL4540409

O=C(Nc1cnc2cc(-c3ccc(S(=O)(=O)N4CCC5(CC4)CN(C4CC4)C(=O)CO5)cc3)ccc2c1)C1CC1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FASN P49327 5/20 0.69
EPHX2 P34913 1/20 0.43
WNT1 P04628 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
CHRM5 P08912 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
NPY5R Q15761 1/20 0.36

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
SCHEMBL4543116 0.93 FASN (0.70) FASNEPHX2KMT2APOLBALDH1A1
SCHEMBL4538706 0.88 FASN (0.71) FASNEPHX2MEN1KMT2AALDH1A1
SCHEMBL4543437 0.87 FASN (0.76) FASNWNT1GSK3BDYRK1AMEN1
SCHEMBL4540793 0.86 FASN (0.73) FASNWNT1GSK3BDYRK1AMEN1
SCHEMBL4543685 0.85 FASN (0.72) FASNMEN1KMT2APOLBALDH1A1
SCHEMBL4539661 0.85 FASN (0.76) FASNMEN1KMT2AALDH1A1
SCHEMBL4541442 0.85 FASN (0.76) FASNMEN1KMT2AALDH1A1LMNA
SCHEMBL4540091 0.85 FASN (0.76) FASNMEN1KMT2APOLBALDH1A1
SCHEMBL4540861 0.85 FASN (0.76) FASNMEN1KMT2APOLBALDH1A1
SCHEMBL22220973 0.85 FASN (0.69) FASNKMT2AALDH1A1LMNA

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 2790/4885EPHX2 1185/4885WNT1 4825/4885
US-20130237535-A1 FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 FASN 1/4885EPHX2 1420/4885WNT1 3057/4885

“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.