SCHEMBL29030780

SCHEMBL29030780

CCNc1nc(CO)c(C(=O)OCC)s1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
HPGD P15428 4/20 0.51
NPC1 O15118 3/20 0.47
KDM4E B2RXH2 5/20 0.46
MAPT P10636 4/20 0.46
RAB9A P51151 1/20 0.46
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPSR1 Q6W5P4 3/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TSHR P16473 1/20 0.45
CYP1A2 P05177 1/20 0.44
LMNA P02545 3/20 0.44
DHODH Q02127 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL28721473 0.78 L3MBTL1 (0.51) ALDH1A1HPGDNPC1KDM4EMAPT
SCHEMBL1921091 0.78 ALDH1A1 (0.49) ALDH1A1HPGDNPC1KDM4EMAPT
SCHEMBL29660772 0.77 ALDH1A1 (0.47) ALDH1A1HPGDNPC1KDM4EMAPT
SCHEMBL1552396 0.76 ALDH1A1 (0.69) ALDH1A1HPGDNPC1KDM4EMAPT
SCHEMBL29030799 0.76 ALDH1A1 (0.47) ALDH1A1HPGDNPC1KDM4EMAPT
SCHEMBL1553106 0.76 ALDH1A1 (0.47) ALDH1A1HPGDNPC1KDM4EMAPT
SCHEMBL29030783 0.76 ALDH1A1 (0.49) ALDH1A1HPGDNPC1KDM4EMAPT
SCHEMBL5525822 0.74 ALDH1A1 (0.52) ALDH1A1HPGDNPC1KDM4EMAPT
SCHEMBL29660850 0.74 ALDH1A1 (0.45) ALDH1A1HPGDNPC1KDM4EMAPT
SCHEMBL25251560 0.73 ALDH1A1 (0.67) ALDH1A1HPGDNPC1KDM4EMAPT

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-20240043450-A1 NEW COMPOUND JANSSEN PHARMACEUTICA NV (BE) 2024-02-08 US disclosed
EP-4217347-A1 NEW COMPOUNDS JANSSEN Pharmaceutica NV (BE) 2023-08-02 EP disclosed
CN-116194445-A New compounds 詹森药业有限公司 2023-05-30 CN disclosed
WO-2022063896-A1 NEW COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2022-03-31 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 (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-20240043450-A1 NEW COMPOUND NLRP3, NLRP1, PYCARD ALDH1A1 1954/4885HPGD 2200/4885NPC1 111/4885

“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.