SCHEMBL25689702

SCHEMBL25689702

Fc1cnc(Cl)cc1N1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.40
ALDH1A1 P00352 5/20 0.40
POLB P06746 3/20 0.40
CHKA P35790 1/20 0.40
MAPK1 P28482 1/20 0.39
HTT P42858 2/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 2/20 0.37
TSHR P16473 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL16635304 0.81 CHRNB2 (0.38) ALDH1A1ALOX15HSD17B10SMN1; SMN2
SCHEMBL16634865 0.81 GSK3A (0.39) ALDH1A1ALOX15HSD17B10SMN1; SMN2MAPT
SCHEMBL16635338 0.81 FFAR4 (0.44) ALDH1A1TSHRALOX15HSD17B10SMN1; SMN2
SCHEMBL29765410 0.78 HTT (0.40) ALDH1A1MAPK1HTTGAAKDM4E
SCHEMBL16635032 0.78 TRPA1 (0.41) ALDH1A1KDM4EALOX15HSD17B10MAPT
SCHEMBL18176122 0.76 ALDH1A1 (0.42) ALDH1A1POLBCHKAHTTGAA
SCHEMBL16879601 0.76 ALDH1A1 (0.47) ALDH1A1POLBCHKAMAPK1HTT
SCHEMBL27126798 0.76 LMNA (0.48) HTTKDM4ELMNAHSD17B10
SCHEMBL25689701 0.75 AR (0.41) IP6K1ALDH1A1MAPK1HTTGAA
SCHEMBL22909290 0.74 MAPK1 (0.50) IP6K1ALDH1A1MAPK1HTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203019-A1 Piperazine Cyclic Ureas SIRONAX (BEIJING) CO., LTD. (CN) 2023-06-29 US disclosed
US-20230192662-A1 Receptor-Interacting Protein 1 Inhibitors Including Piperazine Heterocyclic Amide Ureas Sironax Ltd. (KY) 2023-06-22 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 (2 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-20230192662-A1 Receptor-Interacting Protein 1 Inhibitors Including Piperazine Heterocyclic Amide Ureas RIPK1, RIPK3, RIPK4 IP6K1 42/4885ALDH1A1 4200/4885POLB 3926/4885
US-20230203019-A1 Piperazine Cyclic Ureas RIPK1, RIPK3, RIPK4 IP6K1 15/4885ALDH1A1 3602/4885POLB 2439/4885

“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.