SCHEMBL24977965

SCHEMBL24977965

Cc1nc2c(c(C(C)(C)C)c1-c1ccccc1)CCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.49
LMNA P02545 1/20 0.49
KDM4E B2RXH2 9/20 0.46
MAPT P10636 6/20 0.46
ALDH1A1 P00352 9/20 0.45
HPGD P15428 6/20 0.45
NPSR1 Q6W5P4 5/20 0.45
HSD17B10 Q99714 5/20 0.45
TSHR P16473 2/20 0.45
FPR1 P21462 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ADORA2A P29274 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.42
CACNB4 O00305 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
SCHEMBL22019961 0.82 LMNA (0.49) MAPK1LMNAKDM4EMAPTALDH1A1
SCHEMBL22019757 0.81 KDM4E (0.50) MAPK1LMNAKDM4EMAPTALDH1A1
SCHEMBL22019978 0.79 ACHE (0.54) MAPK1LMNAKDM4EMAPTALDH1A1
SCHEMBL22019781 0.77 KDM4E (0.51) MAPK1LMNAKDM4EMAPTALDH1A1
SCHEMBL24977998 0.77 KDM4E (0.46) MAPK1LMNAKDM4EMAPTALDH1A1
SCHEMBL16132306 0.74 BCHE (0.59) MAPK1LMNAKDM4EMAPTALDH1A1
SCHEMBL13389335 0.74 ACHE (0.59) MAPK1LMNAKDM4EALDH1A1HSD17B10
SCHEMBL22020511 0.73 MEN1 (0.52) MAPK1KDM4EMAPTALDH1A1HPGD
SCHEMBL13886501 0.73 BCHE (0.60) MAPK1LMNAKDM4EALDH1A1HSD17B10
SCHEMBL30657668 0.72 HSD17B10 (0.58) MAPK1LMNAKDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 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 (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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 MAPK1 1647/4885LMNA 1699/4885KDM4E 4525/4885

“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.