SCHEMBL20639645

SCHEMBL20639645

CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(Br)cc4)CC3)cc2)c1=O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.78
LMNA P02545 2/20 0.78
KDM4E B2RXH2 1/20 0.78
ALDH1A1 P00352 1/20 0.78
GAA P10253 1/20 0.78
HTT P42858 1/20 0.78
SMN1; SMN2 Q16637 1/20 0.78
DGAT1 O75907 5/20 0.59
CYP3A4 P08684 11/20 0.42
MEN1 O00255 1/20 0.42
ABCB11 O95342 1/20 0.42
FYN P06241 1/20 0.42
ABCB1 P08183 1/20 0.42
CXCR1 P25024 1/20 0.42
TACR1 P25103 1/20 0.42
MAPK1 P28482 1/20 0.42
AVPR2 P30518 1/20 0.42
CCR4 P51679 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE4D Q08499 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
SCHEMBL14061818 0.92 MAPT (0.64) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL16975619 0.89 MAPT (0.80) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL20639894 0.89 MAPT (0.61) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL23678506 0.89 MAPT (0.80) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL12240584 0.89 MAPT (0.80) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL23355483 0.89 MAPT (0.80) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL19730460 0.89 MAPT (0.80) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL21845834 0.88 MAPT (0.78) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL2543291 0.88 MAPT (1.00) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL3107523 0.88 MAPT (1.00) MAPTLMNAKDM4EALDH1A1GAA

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
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-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 MAPT 2507/4885LMNA 4266/4885KDM4E 3322/4885
US-10464922-B2 Metalloenzyme inhibitor compounds MMEL1, GPX1, MPO MAPT 2507/4885LMNA 4266/4885KDM4E 3322/4885

“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.