SCHEMBL19738005

SCHEMBL19738005

COC(=O)c1nc(C)oc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.50
ALDH1A1 P00352 11/20 0.38
KDM4E B2RXH2 7/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 4/20 0.38
PKM P14618 1/20 0.38
FBP1 P09467 1/20 0.35
HCRTR2 O43614 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
S1PR4 O95977 1/20 0.32
TARBP2 Q15633 1/20 0.32

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
SCHEMBL19207030 0.81 TARBP2 (0.49) NPSR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13247707 0.80 NPSR1 (0.54) NPSR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL30295440 0.78 ALDH1A1 (0.31) ALDH1A1KDM4EHPGDHSD17B10FBP1
SCHEMBL7944992 0.77 NPSR1 (0.50) NPSR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13056617 0.76 IKBKB (0.38) ALDH1A1KDM4EHSD17B10FBP1
SCHEMBL17831838 0.76 NPSR1 (0.48) NPSR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL25335115 0.74 NPSR1 (0.41) NPSR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8891786 0.74 NPSR1 (0.47) NPSR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2563651 0.74 HCRTR2 (0.53) NPSR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7006111 0.74 NPSR1 (0.42) NPSR1ALDH1A1KDM4EHPGDHSD17B10

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
US-20240352037-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS NUVALENT, INC. 2024-10-24 US disclosed
WO-2024179491-A1 GBA1 AND GCS DUAL MODULATOR ONO PHARMACEUTICAL CO., LTD. (JP) 2024-09-06 WO disclosed
US-12054498-B2 Heteroaromatic macrocyclic ether chemotherapeutic agents NUVALENT, INC. (US) 2024-08-06 US disclosed
US-20230107663-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS NUVALENT, INC. 2023-04-06 US disclosed
CN-115916754-A Heteroaromatic macrocyclic ether chemotherapeutic agents 纽威伦特公司 2023-04-04 CN disclosed
US-11542278-B1 Heteroaromatic macrocyclic ether chemotherapeutic agents NUVALENT, INC. (US) 2023-01-03 US disclosed
WO-2017218960-A1 HEMOGLOBIN MODIFIER COMPOUNDS AND USES THEREOF FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2017-12-21 WO 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 (4 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-20240352037-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS ABCB1, CYP2C8, PAICS NPSR1 4365/4885ALDH1A1 2062/4885KDM4E 1505/4885
US-12054498-B2 Heteroaromatic macrocyclic ether chemotherapeutic agents CYP2C8, ABCB1, CYP3A43 NPSR1 4470/4885ALDH1A1 874/4885KDM4E 1478/4885
US-11542278-B1 Heteroaromatic macrocyclic ether chemotherapeutic agents CYP2C8, ABCB1, CYP3A43 NPSR1 4470/4885ALDH1A1 874/4885KDM4E 1478/4885
US-20230107663-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS ABCB1, CYP2C8, PAICS NPSR1 4365/4885ALDH1A1 2062/4885KDM4E 1505/4885

“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.