SCHEMBL26086346

SCHEMBL26086346

COc1cc(Br)cc(CNCCCNCCCCNCCCNCc2c(O)ccc3ccccc23)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.47
▸ HIF1A Q16665 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ KCNT1 Q5JUK3 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ PHLPP2 Q6ZVD8 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CHRM2 P08172 9/20 0.42
▸ GRIN1 Q05586 4/20 0.42
▸ GRIN2A Q12879 4/20 0.42
▸ BCHE P06276 4/20 0.42
▸ ACHE P22303 4/20 0.42
▸ CHRM4 P08173 2/20 0.42

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
SCHEMBL30395604 1.00 CYP1A2 (0.47) CYP1A2HIF1ACYP3A4CYP2D6CYP2C9
SCHEMBL26087454 0.88 SMPD1 (0.52) CYP3A4CYP2D6KMT2AMEN1POLB
SCHEMBL8608079 0.80 GAA (0.47) CYP3A4CYP2D6ALDH1A1KMT2AMEN1
SCHEMBL30380374 0.79 KCNT1 (0.59) CYP1A2HIF1ACYP2C9CYP2C19KCNT1
SCHEMBL26086370 0.77 CHRM2 (0.50) CYP3A4CYP2D6ALDH1A1KMT2AMEN1
SCHEMBL26086379 0.77 CA12 (0.62) CYP1A2HIF1ACYP2D6CYP2C9CYP2C19
SCHEMBL11593078 0.75 KCNT1 (0.60) CYP1A2HIF1ACYP2C9CYP2C19KCNT1
SCHEMBL12530633 0.71 KCNT1 (0.56) CYP1A2HIF1ACYP2C9CYP2C19KCNT1
SCHEMBL26086339 0.71 KCNT1 (0.51) CYP1A2CYP2D6CYP2C9CYP2C19KCNT1
SCHEMBL26411467 0.70 HTR2A (0.41) CYP3A4CYP2D6KMT2AMEN1POLB

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-20240409496-A1 SPERMINE DERIVATIVES AS HEPARIN ANTIDOTES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2024-12-12 — — US disclosed
WO-2023072434-A1 SPERMINE DERIVATIVES AS HEPARIN ANTIDOTES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) 2023-05-04 — — WO disclosed
EP-4169902-A1 SPERMINE DERIVATIVES AS HEPARIN ANTIDOTES Consejo Superior de Investigaciones Científicas (CSIC) (ES) 2023-04-26 — — EP 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-20240409496-A1 SPERMINE DERIVATIVES AS HEPARIN ANTIDOTES SMS, SRM, SMOX CYP1A2 652/4885HIF1A 2552/4885CYP3A4 1333/4885

“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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