SCHEMBL22916699

SCHEMBL22916699

COC(=O)CNC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.52
KIF11 P52732 1/20 0.44
POLB P06746 1/20 0.43
SRC P12931 1/20 0.41
CES1 P23141 1/20 0.41
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
TSHR P16473 1/20 0.39
DUT P33316 1/20 0.39
ALOX5 P09917 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39

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
SCHEMBL14476942 0.84 KCNN4 (0.47) KCNN4KIF11CYP2C19HIF1AHDAC3
SCHEMBL13865454 0.84 PPID (0.55) KCNN4POLBALDH1A1LMNAKDM4E
SCHEMBL9165257 0.84 DPP4 (0.49) KCNN4POLBCES1CYP2C19HIF1A
SCHEMBL9040716 0.82 KIF11 (0.50) KCNN4KIF11POLBTSHRDUT
SCHEMBL4199968 0.82 KCNN4 (0.56) KCNN4KIF11CES1CYP2C19HIF1A
SCHEMBL28544425 0.81 KCNN4 (0.55) KCNN4KIF11CYP2C19HIF1ADUT
SCHEMBL35211130 0.81 KCNN4 (0.43) KCNN4KIF11CYP2C19HIF1ADUT
SCHEMBL14356107 0.80 KIF11 (0.49) KCNN4KIF11CES1ALDH1A1LMNA
SCHEMBL30610089 0.80 KIF11 (0.49) KCNN4KIF11CES1ALDH1A1LMNA
SCHEMBL16427979 0.80 LMNA (0.49) KCNN4KIF11TSHRDUTALDH1A1

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-11147802-B2 Substituted oxadiazole chemical compound and composition containing said chemical compound and use thereof SHENZHEN TARGETRX, INC. (CN) 2021-10-19 US disclosed
US-20210186933-A1 SUBSTITUTED OXADIAZOLE CHEMICAL COMPOUND AND COMPOSITION CONTAINING SAID CHEMICAL COMPOUND AND USE THEREOF SHENZHEN TARGETRX, INC. (CN) 2021-06-24 US disclosed
EP-3398942-B1 SUBSTITUTED OXADIAZOLE CHEMICAL COMPOUND AND COMPOSITION CONTAINING SAID CHEMICAL COMPOUND AND USE THEREOF SHENZHEN TARGETRX INC (CN) 2021-01-27 EP 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-11147802-B2 Substituted oxadiazole chemical compound and composition containing said chemical compound and use thereof IDO1, IDO2, CYP3A43 KCNN4 3183/4885KIF11 2815/4885POLB 3458/4885
US-20210186933-A1 SUBSTITUTED OXADIAZOLE CHEMICAL COMPOUND AND COMPOSITION CONTAINING SAID CHEMICAL COMPOUND AND USE THEREOF IDO1, IDO2, CYP3A43 KCNN4 3183/4885KIF11 2815/4885POLB 3458/4885

“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.