SCHEMBL24864995

SCHEMBL24864995

O=c1ccc2cc(Nc3ccc(N4CCC(C(F)(F)F)CC4)cc3)ccc2o1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.46
DRD4 P21917 4/20 0.43
DRD2 P14416 2/20 0.43
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CNR2 P34972 1/20 0.40
PKM P14618 2/20 0.39
CA9 Q16790 3/20 0.39
CA12 O43570 2/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL24865653 0.83 CNR2 (0.37) ALDH1A1KDM4EMAPTCNR2MEN1
SCHEMBL24865332 0.80 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL31123276 0.79 JAK1 (0.41) CNR2
SCHEMBL24865673 0.79 JAK1 (0.41) CNR2
SCHEMBL24865740 0.78 BCL6 (0.40) ALDH1A1MAPTHPGDSMN1; SMN2CNR2
SCHEMBL30336647 0.78 CNR2 (0.37) ALDH1A1KDM4EMAPTCNR2MEN1
SCHEMBL24865672 0.78 CNR2 (0.37) ALDH1A1KDM4EMAPTCNR2MEN1
SCHEMBL29208994 0.78 CNR2 (0.37) CNR2
SCHEMBL24865093 0.76 MAPT (0.36) ALDH1A1KDM4EMAPTCNR2MEN1
SCHEMBL24865639 0.76 GABRG2 (0.43) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2

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 ACHE 4866/4885DRD4 4718/4885DRD2 4684/4885

“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.