SCHEMBL5114017

SCHEMBL5114017

COc1ccc(CNC(=O)C2=NOC3(CCN(C(=S)Nc4ccc(C(C)C)cc4)CC3)C2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.44
PDGFRA P16234 2/20 0.43
NAMPT P43490 1/20 0.43
ALDH1A1 P00352 6/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ROCK2 O75116 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 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
SCHEMBL5118862 0.91 SMN1; SMN2 (0.47) PDGFRBPDGFRANAMPTALDH1A1GAA
SCHEMBL1457132 0.88 PDGFRB (0.43) PDGFRBPDGFRANAMPTALDH1A1NPC1
SCHEMBL5113967 0.87 RAB9A (0.45) ALDH1A1NPC1RAB9AGAAMEN1
SCHEMBL5127389 0.87 PDGFRB (0.44) PDGFRBPDGFRANAMPTALDH1A1NPC1
SCHEMBL5120134 0.85 SMN1; SMN2 (0.47) PDGFRBPDGFRANAMPTALDH1A1GAA
SCHEMBL5115065 0.85 MEN1 (0.43) NAMPTALDH1A1RAB9AGAAMEN1
SCHEMBL5119733 0.85 KMT2A (0.46) PDGFRBPDGFRANAMPTALDH1A1GAA
SCHEMBL5125610 0.85 ALDH1A1 (0.47) PDGFRBPDGFRANAMPTALDH1A1RAB9A
SCHEMBL5119611 0.84 ALDH1A1 (0.42) PDGFRBPDGFRANAMPTALDH1A1GAA
SCHEMBL5120149 0.83 ALDH1A1 (0.42) PDGFRBPDGFRANAMPTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984430-A2 PHOSPHONIC ACID-CONTAINING BLENDS AND PHOSPHONIC ACID-CONTAINING POLYMERS Universität Stuttgart - Institut für Chemische Verfahrenstechnik (DE) 2008-10-29 EP claimed
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 US claimed
WO-2007101415-A2 PHOSPHONIC ACID-CONTAINING BLENDS AND PHOSPHONIC ACID-CONTAINING POLYMERS Universität Stuttgart - Institut für Chemische Verfahrenstechnik (DE) 2007-09-13 WO claimed
EP-1984430-A2 PHOSPHONIC ACID-CONTAINING BLENDS AND PHOSPHONIC ACID-CONTAINING POLYMERS Universität Stuttgart - Institut für Chemische Verfahrenstechnik (DE) 2008-10-29 EP disclosed
EP-1984430-A2 PHOSPHONIC ACID-CONTAINING BLENDS AND PHOSPHONIC ACID-CONTAINING POLYMERS Universität Stuttgart - Institut für Chemische Verfahrenstechnik (DE) 2008-10-29 EP disclosed
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 US disclosed
WO-2007101415-A3 PHOSPHONIC ACID-CONTAINING BLENDS AND PHOSPHONIC ACID-CONTAINING POLYMERS UNIV STUTTGART INST FUER CHEMI (DE) 2007-12-21 WO disclosed
WO-2007101415-A2 PHOSPHONIC ACID-CONTAINING BLENDS AND PHOSPHONIC ACID-CONTAINING POLYMERS Universität Stuttgart - Institut für Chemische Verfahrenstechnik (DE) 2007-09-13 WO disclosed
WO-2007101415-A2 PHOSPHONIC ACID-CONTAINING BLENDS AND PHOSPHONIC ACID-CONTAINING POLYMERS Universität Stuttgart - Institut für Chemische Verfahrenstechnik (DE) 2007-09-13 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 (1 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-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs REN, PKD1, NR3C2 PDGFRB 1195/4885PDGFRA 683/4885NAMPT 319/4885

“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.