SCHEMBL24828638

SCHEMBL24828638

CC(C)(C)OC(=O)N/N=C/c1cnn(CC2CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.49
MIF P14174 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 4/20 0.47
RECQL P46063 1/20 0.47
MAPT P10636 8/20 0.46
KDM4E B2RXH2 5/20 0.46
TDP1 Q9NUW8 1/20 0.43
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL24828548 0.73 DRD2 (0.37) HDAC1HDAC2GAA
SCHEMBL23354935 0.72 HDAC1 (0.44) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL24938535 0.72 HDAC1 (0.42) MAPTKDM4ETDP1HDAC1HDAC2
SCHEMBL23354937 0.72 HDAC1 (0.44) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL18138239 0.70 DRD2 (0.39) KMT2AALDH1A1
SCHEMBL29201251 0.69 MIF (0.68) RAB9AMIFSMN1; SMN2NPC1RECQL
SCHEMBL13401232 0.69 MIF (0.78) RAB9AMIFSMN1; SMN2NPC1RECQL
SCHEMBL20581341 0.68 RAB9A (0.60) RAB9AMIFSMN1; SMN2NPC1RECQL
SCHEMBL29401442 0.68 RAB9A (0.60) RAB9AMIFSMN1; SMN2NPC1RECQL
SCHEMBL3322639 0.68 HDAC1 (0.47) KDM4EHDAC1HDAC2

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
US-20240352037-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS NUVALENT, INC. 2024-10-24 US 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
US-11542278-B1 Heteroaromatic macrocyclic ether chemotherapeutic agents NUVALENT, INC. (US) 2023-01-03 US disclosed
US-11542278-B1 Heteroaromatic macrocyclic ether chemotherapeutic agents NUVALENT, INC. (US) 2023-01-03 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 (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 RAB9A 3178/4885MIF 4505/4885SMN1; SMN2 1858/4885
US-12054498-B2 Heteroaromatic macrocyclic ether chemotherapeutic agents CYP2C8, ABCB1, CYP3A43 RAB9A 3155/4885MIF 4191/4885SMN1; SMN2 2005/4885
US-11542278-B1 Heteroaromatic macrocyclic ether chemotherapeutic agents CYP2C8, ABCB1, CYP3A43 RAB9A 3155/4885MIF 4191/4885SMN1; SMN2 2005/4885
US-20230107663-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS ABCB1, CYP2C8, PAICS RAB9A 3178/4885MIF 4505/4885SMN1; SMN2 1858/4885

“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.