SCHEMBL4415282

SCHEMBL4415282

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.42
ROCK2 O75116 1/20 0.42
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
KDM1A O60341 1/20 0.41
PTPN1 P18031 3/20 0.40
DHODH Q02127 3/20 0.40
SMO Q99835 1/20 0.38
ABCC1 P33527 1/20 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
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 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
SCHEMBL4415278 1.00 DEGS1 (0.42) DEGS1ROCK2HTR2AHTR2CHTR2B
SCHEMBL4415287 1.00 DEGS1 (0.42) DEGS1ROCK2HTR2AHTR2CHTR2B
SCHEMBL4415579 0.90 JAK3 (0.40) DEGS1ROCK2HTR2AHTR2CKDM1A
SCHEMBL13602093 0.86 HTR2A (0.42) HTR2AHTR2CHTR2BMEN1NPC1
SCHEMBL4413784 0.84 DHODH (0.42) DEGS1KDM1APTPN1DHODHSMO
SCHEMBL4413780 0.84 DHODH (0.42) DEGS1KDM1APTPN1DHODHSMO
SCHEMBL4413782 0.84 DHODH (0.42) DEGS1KDM1APTPN1DHODHSMO
SCHEMBL14311480 0.83 HTR2A (0.45) HTR2AHTR2CHTR2BNPC1MAPT
SCHEMBL4417190 0.83 TRPV1 (0.43) HTR2AHTR2CHTR2BNPC1RAB9A
SCHEMBL4417184 0.83 TRPV1 (0.43) HTR2AHTR2CHTR2BNPC1RAB9A

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 DEGS1 496/4885ROCK2 4337/4885HTR2A 4724/4885

“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.