SCHEMBL29580477

SCHEMBL29580477

NNC(=O)c1cc2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 1.00
ALDH1A1 P00352 2/20 1.00
GAA P10253 1/20 1.00
MAPK1 P28482 1/20 1.00
HSD17B10 Q99714 2/20 0.66
NPC1 O15118 1/20 0.66
LMNA P02545 1/20 0.66
RAB9A P51151 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
FLT3 P36888 1/20 0.65
MAPT P10636 1/20 0.62
DAO P14920 1/20 0.62
HPGD P15428 1/20 0.62
SRD5A2 P31213 1/20 0.62
DRD2 P14416 2/20 0.61
DRD3 P35462 1/20 0.61
AKR1C3 P42330 1/20 0.60
HTR2C P28335 1/20 0.60
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58

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
SCHEMBL474835 1.00 KDM4E (1.00) KDM4EALDH1A1GAAMAPK1HSD17B10
SCHEMBL5279027 0.85 KDM4E (0.74) KDM4EALDH1A1GAAMAPK1HSD17B10
SCHEMBL721792 0.84 KDM4E (0.72) KDM4EALDH1A1GAAMAPK1HSD17B10
SCHEMBL31081137 0.84 KDM4E (0.72) KDM4EALDH1A1GAAMAPK1HSD17B10
SCHEMBL5164287 0.83 KDM4E (0.71) KDM4EALDH1A1GAAMAPK1HSD17B10
SCHEMBL1204954 0.82 KDM4E (0.69) KDM4EALDH1A1GAAMAPK1HSD17B10
SCHEMBL1204956 0.82 KDM4E (0.69) KDM4EALDH1A1GAAMAPK1HSD17B10
SCHEMBL23331084 0.82 FLT3 (0.70) KDM4EALDH1A1GAAMAPK1HSD17B10
SCHEMBL29354546 0.82 KDM4E (0.70) KDM4EALDH1A1GAAMAPK1HSD17B10
SCHEMBL1254745 0.82 KDM4E (0.70) KDM4EALDH1A1GAAMAPK1HSD17B10

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
CN-114591295-B Pyridine salt-containing N- (indolyl) -N' - (substituted) propyl hydrazide derivative, preparation method and application thereof 贵州大学 2023-11-07 CN disclosed
US-20230183249-A1 NEW TRIAZINOINDOLE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-15 US disclosed
EP-4143192-A1 NEW TRIAZINOINDOLE COMPOUNDS JANSSEN Pharmaceutica NV (BE) 2023-03-08 EP disclosed
CN-115485280-A Novel triazinoindole compounds 詹森药业有限公司 2022-12-16 CN disclosed
CN-114591295-A Pyridine salt-containing N- (indoleacyl) -N' - (substituted) propyl hydrazide derivative, and preparation method and application thereof 贵州大学 2022-06-07 CN 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 (1 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-20230183249-A1 NEW TRIAZINOINDOLE COMPOUNDS NLRP3, NLRP1, PYCARD KDM4E 4088/4885ALDH1A1 2700/4885GAA 3555/4885

“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.