SCHEMBL9446003

SCHEMBL9446003

COC(=O)CNCc1cccc(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
CYP1A2 P05177 3/20 0.50
CYP2D6 P10635 3/20 0.50
CYP2C19 P33261 3/20 0.50
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
CYP3A4 P08684 1/20 0.47
GLA P06280 1/20 0.46
MEP1B Q16820 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
HDAC1 Q13547 1/20 0.44
NPC1 O15118 1/20 0.44
MAOB P27338 1/20 0.43

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
SCHEMBL23703051 0.87 CYP1A2 (0.50) KDM4ECYP1A2CYP2D6CYP2C19LMNA
SCHEMBL14432356 0.85 TAAR1 (0.55) KDM4ECYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL31393609 0.85 CYP1A2 (0.55) KDM4ECYP1A2CYP2D6CYP2C19LMNA
SCHEMBL4269762 0.84 CYP1A2 (0.62) CYP1A2CYP2D6CYP2C19CYP3A4GLA
SCHEMBL1279290 0.83 SLC2A4 (0.51) KDM4ECYP1A2LMNACYP3A4MEP1B
SCHEMBL11953351 0.81 HDAC1 (0.54) CYP1A2CYP2D6CYP2C19LMNACYP3A4
SCHEMBL3912954 0.81 MEN1 (0.44) KDM4EHPGDMEP1BMEN1KMT2A
SCHEMBL13194411 0.81 MEN1 (0.44) KDM4EMEP1BMEN1KMT2AHDAC1
SCHEMBL16702357 0.81 MEN1 (0.48) MEN1KMT2AFFAR1
SCHEMBL136054 0.80 SLC7A5 (0.55) CYP1A2CYP2D6CYP2C19LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260132149-A1 Bridged Cyclic 5-Amino-6,8-Dihydro-1H-Furo[3,4-D]Pyrrolo[3,2-B]Pyridine-2-Carboxamide Compounds, Compositions Thereof, and Methods of Treatment Therewith BEONE MEDICINES I GMBH (CH) 2026-05-14 US disclosed
US-8557552-B2 Selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2013-10-15 US disclosed
US-8557552-B2 Selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2013-10-15 US disclosed
US-20120258513-A1 Selective Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY 2012-10-11 US disclosed
US-20120258513-A1 Selective Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY 2012-10-11 US disclosed
US-5179085-A Cerebrovascular disorders WARNER-LAMBERT COMPANY (US) 1993-01-12 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-20120258513-A1 Selective Neuronal Nitric Oxide Synthase Inhibitors NOS2, NOS1, NOS3 KDM4E 2122/4885CYP1A2 540/4885CYP2D6 1598/4885
US-20260132149-A1 Bridged Cyclic 5-Amino-6,8-Dihydro-1H-Furo[3,4-D]Pyrrolo[3,2-B]Pyridine-2-Carboxamide Compounds, Compositions Thereof, and Methods of Treatment Therewith MECP2, PRMT5, DNMT1 KDM4E 79/4885CYP1A2 4474/4885CYP2D6 2895/4885

“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.