SCHEMBL29565833

SCHEMBL29565833

Clc1ccc(NCc2ccccn2)nn1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
NPC1 O15118 3/20 0.55
HPGD P15428 3/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TP53 P04637 1/20 0.55
HTT P42858 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MAOA P21397 3/20 0.53
MAOB P27338 3/20 0.53
IL1B P01584 1/20 0.46
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
APP P05067 1/20 0.44
FYN P06241 1/20 0.43
CYP1A2 P05177 1/20 0.42
CHRM2 P08172 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL22654857 1.00 KDM4E (0.55) KDM4ENPC1HPGDRAB9ASMN1; SMN2
SCHEMBL30487250 0.77 CXCR4 (0.68) KDM4ENPC1HPGDRAB9ASMN1; SMN2
SCHEMBL229311 0.77 CXCR4 (0.68) KDM4ENPC1HPGDRAB9ASMN1; SMN2
SCHEMBL3951624 0.76 KDM4E (0.52) KDM4ENPC1HPGDRAB9ASMN1; SMN2
SCHEMBL22190875 0.76 MAPT (0.64) KDM4ENPC1HPGDRAB9ASMN1; SMN2
SCHEMBL31201552 0.75 MAOA (0.50) KDM4ENPC1HPGDRAB9ASMN1; SMN2
SCHEMBL3560364 0.75 KDM4E (0.53) KDM4ENPC1HPGDRAB9ASMN1; SMN2
SCHEMBL22655085 0.74 IL1B (0.55) KDM4EHPGDSMN1; SMN2IL1BALDH1A1
SCHEMBL3556495 0.73 MAOA (0.56) KDM4ENPC1HPGDRAB9ASMN1; SMN2
SCHEMBL3951959 0.73 KDM4E (0.58) KDM4ENPC1HPGDRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250270188-A1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS AG (CH) 2025-08-28 US disclosed
US-12139471-B2 NLRP3 inflammasome inhibitors NOVARTIS AG (CH) 2024-11-12 US disclosed
US-20220251067-A1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS AG (CH) 2022-08-11 US disclosed
US-11254653-B2 NLRP3 inflammasome inhibitors NOVARTIS AG (CH) 2022-02-22 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-11254653-B2 NLRP3 inflammasome inhibitors NLRP3, NLRP1, NOD1 KDM4E 2289/4885NPC1 296/4885HPGD 2417/4885
US-20220251067-A1 NLRP3 INFLAMMASOME INHIBITORS NLRP3, NLRP1, NOD1 KDM4E 2289/4885NPC1 296/4885HPGD 2417/4885
US-12139471-B2 NLRP3 inflammasome inhibitors NLRP3, NLRP1, NOD1 KDM4E 2289/4885NPC1 296/4885HPGD 2417/4885
US-20250270188-A1 NLRP3 INFLAMMASOME INHIBITORS NLRP3, NLRP1, NOD1 KDM4E 2289/4885NPC1 296/4885HPGD 2417/4885

“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.