SCHEMBL22210200

SCHEMBL22210200

N/C(=N\OC(=O)CCl)C1CC(c2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.42
AKR1C1 Q04828 1/20 0.42
SLC9A1 P19634 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
HTT P42858 2/20 0.37
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
XDH P47989 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
POLB P06746 1/20 0.36
KDM1A O60341 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.33
LDHA P00338 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL28725215 1.00 AKR1C3 (0.42) AKR1C3AKR1C1SLC9A1TDP1HTT
SCHEMBL28725165 0.88 SLC9A1 (0.42) SLC9A1TDP1HTTSMN1; SMN2L3MBTL1
SCHEMBL22209882 0.88 SLC9A1 (0.42) SLC9A1TDP1HTTSMN1; SMN2L3MBTL1
SCHEMBL22194699 0.78 XDH (0.39) TDP1HTTSMN1; SMN2XDHL3MBTL1
SCHEMBL22194693 0.78 XDH (0.39) TDP1HTTSMN1; SMN2XDHL3MBTL1
SCHEMBL28725213 0.76 AKR1C3 (0.43) AKR1C3AKR1C1KDM1AALDH1A1GRIN2B
SCHEMBL20495435 0.72 PARP1 (0.42) SLC9A1TDP1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL20495432 0.72 PARP1 (0.42) SLC9A1TDP1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL22209812 0.72 AKR1C3 (0.46) AKR1C3AKR1C1SLC9A1KDM1AKDM4E
SCHEMBL28725144 0.72 AKR1C3 (0.46) AKR1C3AKR1C1SLC9A1KDM1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10711004-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2020-07-14 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-10711004-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 AKR1C3 705/4885AKR1C1 943/4885SLC9A1 312/4885

“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.