SCHEMBL4965978

SCHEMBL4965978

CCCCC=Cc1c(C(=O)OCC)ncc2c1ccn2Cc1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.38
MAPT P10636 4/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
ELANE P08246 1/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 1/20 0.35
MAOB P27338 1/20 0.35
OPRD1 P41143 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
RECQL P46063 1/20 0.34
MAPK10 P53779 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SRC P12931 1/20 0.34
P2RY12 Q9H244 1/20 0.34

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
SCHEMBL4965975 1.00 PDE4B (0.38) PDE4BMAPTKDM4EPKMNPC1
SCHEMBL3495861 0.86 PDE4B (0.39) PDE4BMAPTKDM4EPKMNPC1
SCHEMBL3495858 0.86 PDE4B (0.39) PDE4BMAPTKDM4EPKMNPC1
SCHEMBL4803894 0.86 PDE4B (0.41) PDE4BMAPTKDM4EPKMNPC1
SCHEMBL2881519 0.81 NPC1 (0.46) PDE4BMAPTKDM4EPKMNPC1
SCHEMBL4805573 0.80 NPC1 (0.42) PDE4BMAPTKDM4EPKMNPC1
SCHEMBL4975638 0.80 MMP1 (0.36) MAPTKDM4ELMNAALDH1A1MAOB
SCHEMBL4975644 0.80 MMP1 (0.36) MAPTKDM4ELMNAALDH1A1MAOB
SCHEMBL4962110 0.79 MAOB (0.38) MAPTKDM4EPKMLMNARAB9A
SCHEMBL3495324 0.79 MAOB (0.38) PDE4BMAPTKDM4ELMNAALDH1A1

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
EP-1934220-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME Pfizer Products Incorporated (US) 2008-06-25 EP disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 US disclosed
WO-2007042883-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-19 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-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, INTS9, TYMP PDE4B 2323/4885MAPT 600/4885KDM4E 821/4885

“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.