SCHEMBL20639749

SCHEMBL20639749

COC(CNC(=O)Nc1ccc(N2CCN(c3ccc(Br)cc3)CC2)cc1)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
CCR3 P51677 4/20 0.48
FPR2 P25090 2/20 0.48
USP2 O75604 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MAPK1 P28482 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 1/20 0.46
APAF1 O14727 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CA1 P00915 1/20 0.45

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
SCHEMBL17912936 0.88 ALDH1A1 (0.54) POLBKMT2AMEN1FPR2SMN1; SMN2
SCHEMBL8931659 0.88 KMT2A (0.65) POLBKMT2AMEN1CCR3SMN1; SMN2
SCHEMBL20639865 0.77 FPR2 (0.45) KMT2AMEN1FPR2USP2SMN1; SMN2
SCHEMBL30797089 0.74 RAB9A (0.64) POLBKMT2AMEN1FPR2SMN1; SMN2
SCHEMBL20639990 0.74 KMT2A (0.68) KMT2AMEN1FPR2USP2SMN1; SMN2
SCHEMBL28381348 0.74 NPC1 (0.54) KMT2AMEN1FPR2SMN1; SMN2LMNA
SCHEMBL20640022 0.74 FPR2 (0.42) KMT2AMEN1FPR2USP2SMN1; SMN2
SCHEMBL10465161 0.73 ALDH1A1 (0.58) POLBKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL22535071 0.72 RAB9A (0.59) POLBKMT2AMEN1FPR2SMN1; SMN2
SCHEMBL20639853 0.72 RAB9A (0.56) POLBKMT2AMEN1FPR2USP2

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 POLB 1777/4885KMT2A 1886/4885MEN1 511/4885
US-10464922-B2 Metalloenzyme inhibitor compounds MMEL1, GPX1, MPO POLB 1777/4885KMT2A 1886/4885MEN1 511/4885

“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.