SCHEMBL4413780

SCHEMBL4413780

O=C(Nc1ccc(-c2ccccc2)cc1)C1=C(O)[C@H]2CCC[C@H]2NC1=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.42
DEGS1 O15121 1/20 0.42
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
KDM1A O60341 2/20 0.41
PTPN1 P18031 2/20 0.40
PARP1 P09874 1/20 0.39
SMO Q99835 1/20 0.38
DGAT1 O75907 3/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 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
SCHEMBL4413784 1.00 DHODH (0.42) DHODHDEGS1RAB9ALMNAKDM1A
SCHEMBL4413782 1.00 DHODH (0.42) DHODHDEGS1RAB9ALMNAKDM1A
SCHEMBL4428692 0.88 PNLIP (0.48) DHODHRAB9ALMNAMEN1NPC1
SCHEMBL4428695 0.88 PNLIP (0.48) DHODHRAB9ALMNAMEN1NPC1
SCHEMBL4428693 0.88 PNLIP (0.48) DHODHRAB9ALMNAMEN1NPC1
SCHEMBL4415579 0.85 JAK3 (0.40) DHODHDEGS1KDM1APTPN1
SCHEMBL4415282 0.84 DEGS1 (0.42) DHODHDEGS1RAB9AKDM1APTPN1
SCHEMBL4415278 0.84 DEGS1 (0.42) DHODHDEGS1RAB9AKDM1APTPN1
SCHEMBL4415287 0.84 DEGS1 (0.42) DHODHDEGS1RAB9AKDM1APTPN1
SCHEMBL4421045 0.83 RXFP1 (0.46) RAB9AMEN1NPC1KMT2ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-12-31 US disclosed
US-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-12-31 US disclosed
US-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-12-31 US disclosed
WO-2008014307-A2 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2008-01-31 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-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 DHODH 89/4885DEGS1 496/4885RAB9A 2428/4885

“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.