SCHEMBL20639751

SCHEMBL20639751

Cn1ncn(-c2ccc(N3CCN(c4ccc(Br)cc4)CC3)cc2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
MAOB P27338 1/20 0.44
DGAT1 O75907 3/20 0.41
AKR1C3 P42330 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL16197227 0.91 NPC1 (0.44) MAPTSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL11070043 0.85 MAPT (0.62) MAPTSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL11069599 0.82 MAPT (0.64) MAPTSMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL13114811 0.82 ADRB1 (0.49) MAPTSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL20639871 0.81 MAPT (0.49) MAPTSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL20639915 0.81 MAPT (0.58) MAPTSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL20639945 0.79 MAPT (0.42) MAPTSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL20639894 0.78 MAPT (0.61) MAPTSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL20639938 0.78 PPARD (0.46) MAPTSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL20639805 0.77 MAPT (0.57) MAPTSMN1; SMN2ALDH1A1KDM4ELMNA

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 2507/4885SMN1; SMN2 1142/4885ALDH1A1 289/4885
US-10464922-B2 Metalloenzyme inhibitor compounds MMEL1, GPX1, MPO MAPT 2507/4885SMN1; SMN2 1142/4885ALDH1A1 289/4885

“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.