SCHEMBL4237397

SCHEMBL4237397

O=C(Nc1ccc(N2CCCCC2)cc1)C1=C(O)CC(C2CCCCC2)NC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.46
RAB9A P51151 9/20 0.46
SMN1; SMN2 Q16637 9/20 0.46
NPC1 O15118 8/20 0.46
TP53 P04637 2/20 0.46
PKM P14618 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
GFER P55789 4/20 0.46
MAPK1 P28482 3/20 0.45
HTT P42858 3/20 0.45
ALOX15 P16050 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 6/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
GAA P10253 4/20 0.43
LMNA P02545 4/20 0.43

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
SCHEMBL4246135 0.93 ALDH1A1 (0.52) MAPTRAB9ASMN1; SMN2NPC1TP53
SCHEMBL4245288 0.84 DEGS1 (0.51) MAPTRAB9ANPC1ALDH1A1GAA
SCHEMBL4246914 0.84 MAPT (0.43) MAPTRAB9ASMN1; SMN2NPC1GFER
SCHEMBL4246052 0.83 PORCN (0.41) HTTKMT2A
SCHEMBL4244777 0.82 CHEK2 (0.39) TP53ALDH1A1KMT2AKDM4E
SCHEMBL13597907 0.82 RAB9A (0.47) MAPTRAB9ASMN1; SMN2NPC1TP53
SCHEMBL4244100 0.82 RXFP1 (0.47) MAPTRAB9ASMN1; SMN2NPC1TP53
SCHEMBL4250686 0.81 KMT2A (0.44) MAPTSMN1; SMN2TP53MAPK1HTT
SCHEMBL4238314 0.81 NPC1 (0.55) MAPTRAB9ASMN1; SMN2NPC1TP53
SCHEMBL4246968 0.80 EPHX1 (0.48) MAPTRAB9ASMN1; SMN2NPC1TP53

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-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 US disclosed
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 US disclosed
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 US 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-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 MAPT 1345/4885RAB9A 2428/4885SMN1; SMN2 4143/4885

“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.