SCHEMBL31205945

SCHEMBL31205945

CCc1c(C)cc(NC2CCC(NC(=O)O)CC2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ TAS1R3 Q7RTX0 2/20 0.35
▸ TAS1R1 Q7RTX1 2/20 0.35
▸ TAS1R2 Q8TE23 2/20 0.35
▸ SMYD3 Q9H7B4 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34

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
SCHEMBL25039647 0.80 SMYD3 (0.37) SMYD3
SCHEMBL14974776 0.73 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL11429198 0.71 HPGD (0.40) HPGDNPC1RAB9AEPHX2TAS1R3
SCHEMBL22999173 0.68 RAB9A (0.51) NPC1RAB9AEPHX2SMN1; SMN2MEN1
SCHEMBL31206112 0.68 KDM1A (0.47) EPHX2KMT2AALDH1A1
SCHEMBL245467 0.67 — —
SCHEMBL6658887 0.67 EPHX2 (0.50) NPC1RAB9AEPHX2SMN1; SMN2MAPT
SCHEMBL31205821 0.67 KDM1A (0.44) NPC1RAB9AEPHX2MAPTKMT2A
Bicarbonate SCHEMBL8744799 0.67 KMT2A (0.49) HPGDEPHX2TAS1R3TAS1R1TAS1R2
Bicarbonate SCHEMBL7615153 0.67 KMT2A (0.42) HPGDNPC1RAB9AEPHX2TAS1R3

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-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-31 — — 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-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF AIFM2, GPX1, GPX4 HPGD 276/4885NPC1 217/4885RAB9A 1575/4885

“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.

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