SCHEMBL4825843

SCHEMBL4825843

Fc1ccc(-c2ccnn2Cc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.54
NR3C2 P08235 1/20 0.49
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP11B1 P15538 2/20 0.48
CYP11B2 P19099 2/20 0.48
CYP19A1 P11511 1/20 0.46
HDAC6 Q9UBN7 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
NT5E P21589 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL3365189 0.92 PTGS1 (0.47) P2RX7NR3C2ALDH1A1SMN1; SMN2CYP11B1
SCHEMBL14858072 0.88 P2RX7 (0.61) P2RX7ALDH1A1SMN1; SMN2CYP11B1CYP11B2
SCHEMBL24121187 0.77 P2RX7 (0.53) P2RX7NR3C2ALDH1A1SMN1; SMN2NT5E
SCHEMBL3614208 0.77 CYP17A1 (0.46) P2RX7ALDH1A1SMN1; SMN2NT5EKDM4E
SCHEMBL27886950 0.76 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2CYP11B1CYP11B2HDAC6
SCHEMBL3488413 0.76 SLC13A5 (0.46) NR3C2ALDH1A1SMN1; SMN2CYP19A1MEN1
SCHEMBL3489723 0.75 HDAC6 (0.63) ALDH1A1SMN1; SMN2CYP11B1CYP11B2HDAC6
SCHEMBL17310070 0.75 NR3C2 (0.62) P2RX7NR3C2NT5EMITFPKM
SCHEMBL3603088 0.75 NR3C2 (0.53) NR3C2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3602721 0.74 NR3C2 (0.49) P2RX7NR3C2ALDH1A1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 US disclosed
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 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 (2 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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 P2RX7 1112/4885NR3C2 11/4885ALDH1A1 2652/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 P2RX7 1112/4885NR3C2 11/4885ALDH1A1 2652/4885

“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.