SCHEMBL30336301

SCHEMBL30336301

Cc1nc2ccc(Nc3ccc(N4CCC(C(F)(F)F)CC4)cc3)cc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 3/20 0.39
MAPK1 P28482 3/20 0.39
TP53 P04637 1/20 0.39
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
CHRNA7 P36544 1/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
NR4A1 P22736 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CNR2 P34972 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
P2RX3 P56373 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
SCHEMBL24865099 1.00 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1POLBMAPTMAPK1
SCHEMBL24865696 0.86 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1POLBMAPTMAPK1
SCHEMBL30336196 0.86 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1POLBMAPTMAPK1
SCHEMBL24865763 0.80 ULK1 (0.46) SMN1; SMN2MAPTMAPK1KDM4ENR4A1
SCHEMBL24865093 0.78 MAPT (0.36) ALDH1A1MAPTMAPK1TP53KMT2A
SCHEMBL29209052 0.77 MAOB (0.41) SMN1; SMN2ALDH1A1KDM4ECNR2HSD17B10
SCHEMBL30336647 0.77 CNR2 (0.37) ALDH1A1MAPTMAPK1TP53JAK2
SCHEMBL24865672 0.77 CNR2 (0.37) ALDH1A1MAPTMAPK1TP53JAK2
SCHEMBL24865332 0.77 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1POLBMAPTKMT2A
SCHEMBL25190141 0.76 NPC1 (0.40) ALDH1A1MAPTMAPK1KMT2AKDM4E

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-20240327393-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-03 US 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 1657/4885ALDH1A1 1306/4885POLB 4036/4885

“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.