SCHEMBL5028368

SCHEMBL5028368

CC(C)(C)N(CCc1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.45
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
NSD2 O96028 1/20 0.42
EPHX2 P34913 1/20 0.42
CTBP2 P56545 1/20 0.41
RORC P51449 1/20 0.41
CYP2A6 P11509 1/20 0.41
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
FFAR1 O14842 2/20 0.40
NPC1 O15118 1/20 0.40
CYP19A1 P11511 1/20 0.39

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
SCHEMBL17701291 0.86 NSD2 (0.48) HTTMEN1KMT2AL3MBTL1NSD2
SCHEMBL320435 0.83 FFAR1 (0.44) HRH3HTTMEN1KMT2AL3MBTL1
SCHEMBL1935310 0.81 MEN1 (0.47) HRH3HTTMEN1KMT2AL3MBTL1
SCHEMBL2881402 0.81 PPARA (0.49) HRH3HTTMEN1KMT2AL3MBTL1
SCHEMBL4147783 0.81 ESRRG (0.49) HTTMEN1KMT2AL3MBTL1
SCHEMBL1027884 0.81 MEN1 (0.47) HTTMEN1KMT2AL3MBTL1CTBP2
SCHEMBL21247482 0.80 KMT2A (0.63) HTTMEN1KMT2AL3MBTL1NPC1
SCHEMBL11898599 0.80 MEN1 (0.46) HRH3HTTMEN1KMT2AL3MBTL1
SCHEMBL21997106 0.80 KMT2A (0.46) HTTMEN1KMT2AL3MBTL1CYP2A6
SCHEMBL1845384 0.80 MEN1 (0.46) HTTMEN1KMT2AL3MBTL1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180370927-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-12-27 US disclosed
US-20080221082-A1 Ligands of Integrin Receptors ABBOTT GMBH & CO. KG (DE) 2008-09-11 US disclosed
EP-1286673-B1 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2005-05-25 EP 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-20180370927-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES PRF1, MPO, NOX3 HRH3 2945/4885HTT 4832/4885MEN1 3642/4885
US-20080221082-A1 Ligands of Integrin Receptors ITGB3, ITGAV, ITGA2B HRH3 1034/4885HTT 4750/4885MEN1 4463/4885

“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.