SCHEMBL30336558

SCHEMBL30336558

Cn1ccc2cc(Nc3ccc4c(c3)n(C)c(=O)n4C)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
TP53 P04637 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HSD17B10 Q99714 1/20 0.51
GAA P10253 1/20 0.50
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
TRIM24 O15164 2/20 0.46
BCL6 P41182 2/20 0.45
PKM P14618 2/20 0.45
XIAP P98170 1/20 0.45
BIRC2 Q13490 1/20 0.45
EGFR P00533 1/20 0.44
MAOB P27338 2/20 0.44
CYP2A6 P11509 1/20 0.44
PRKCI P41743 1/20 0.44
GRM4 Q14833 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL24865228 1.00 SMN1; SMN2 (0.51) SMN1; SMN2TP53ALDH1A1HSD17B10GAA
SCHEMBL24865481 0.78 TRIM24 (0.61) SMN1; SMN2TP53ALDH1A1HSD17B10GAA
SCHEMBL15152207 0.76 MAOB (0.63) SMN1; SMN2TP53LMNAPKMEGFR
SCHEMBL8789947 0.75 KMT2A (0.51) SMN1; SMN2TP53LMNAPKMEGFR
SCHEMBL24865206 0.74 SMN1; SMN2 (0.53) SMN1; SMN2TP53ALDH1A1HSD17B10GAA
SCHEMBL30336923 0.74 SMN1; SMN2 (0.53) SMN1; SMN2TP53ALDH1A1HSD17B10GAA
SCHEMBL24865065 0.74 ALDH1A1 (0.67) SMN1; SMN2TP53ALDH1A1HSD17B10GAA
SCHEMBL30336308 0.74 ALDH1A1 (0.56) SMN1; SMN2TP53ALDH1A1HSD17B10GAA
SCHEMBL24865385 0.74 ALDH1A1 (0.56) SMN1; SMN2TP53ALDH1A1HSD17B10GAA
SCHEMBL31035921 0.73 PRKCI (0.55) SMN1; SMN2TP53LMNAPKMEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327393-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-03 US disclosed
CN-117999259-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-07 CN disclosed
WO-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 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-20240327393-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF AIFM2, GPX1, GPX4 SMN1; SMN2 1657/4885TP53 1387/4885ALDH1A1 1306/4885

“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.