SCHEMBL20639735

SCHEMBL20639735

CC1(C)OB(c2ccc(N3CCN(c4ccc(C#N)c(F)c4)CC3)cc2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 3/20 0.40
LIPG Q9Y5X9 3/20 0.40
AR P10275 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
NSD2 O96028 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
CASP7 P55210 1/20 0.39
CASP6 P55212 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.38
EGLN2 Q96KS0 1/20 0.38
ESR2 Q92731 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
HSD11B1 P28845 1/20 0.35
PARP1 P09874 3/20 0.35

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
SCHEMBL751210 0.81 LPL (0.47) LPLLIPGESR2CYP11B1CYP11B2
SCHEMBL30376230 0.81 LPL (0.47) LPLLIPGESR2CYP11B1CYP11B2
SCHEMBL20639944 0.80 KDM4E (0.51) LPLLIPGKDM4ETP53ESR2
SCHEMBL20639971 0.80 KDM4E (0.44) LPLLIPGKDM4EMAPTLMNA
SCHEMBL30270033 0.80 KDM4E (0.44) LPLLIPGKDM4EMAPTLMNA
SCHEMBL20644510 0.79 LPL (0.65) LPLLIPGKDM4EMAPTLMNA
SCHEMBL20639903 0.78 KDM4E (0.47) LPLLIPGKDM4EMAPTLMNA
SCHEMBL1237566 0.76 KDM4E (0.63) KDM4EMAPTNSD2LMNATSHR
SCHEMBL28720529 0.76 HTR6 (0.53) ARKDM4EMAPTLMNAHTT
SCHEMBL20639942 0.74 KDM4E (0.46) ARKDM4EMAPTNSD2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3397629-B1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2023-04-19 EP disclosed
EP-3397629-B1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2023-04-19 EP disclosed
CN-108779094-B Metalloenzyme inhibitor compounds NQP 1598公司 2021-11-16 CN disclosed
US-10464922-B2 Metalloenzyme inhibitor compounds NQP 1598, LTD. (US) 2019-11-05 US disclosed
US-10464922-B2 Metalloenzyme inhibitor compounds NQP 1598, LTD. (US) 2019-11-05 US disclosed
US-20190016700-A1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598, LTD. (KY) 2019-01-17 US disclosed
US-20190016700-A1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598, LTD. (KY) 2019-01-17 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 (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-20190016700-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO LPL 284/4885LIPG 403/4885AR 4016/4885
US-10464922-B2 Metalloenzyme inhibitor compounds MMEL1, GPX1, MPO LPL 284/4885LIPG 403/4885AR 4016/4885

“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.