SCHEMBL14165306

SCHEMBL14165306

N=C(N)NCCOc1cccc(-c2ccc(CN3C(=O)c4ccccc4C3=O)c(OCCNC(=N)N)c2OCCNC(=N)N)c1OCCNC(=N)N

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ HEXA P06865 1/20 0.37
▸ HEXB P07686 1/20 0.37
▸ RAB9A P51151 4/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ GRM5 P41594 1/20 0.33
▸ PDCD1 Q15116 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33

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
SCHEMBL14165577 0.84 KDM4E (0.43) HEXAHEXBRAB9ANPC1TSHR
SCHEMBL10064201 0.83 ALDH1A1 (0.40) LMNAPKMNPC1TSHRHPGD
SCHEMBL14165390 0.82 RAB9A (0.41) RAB9ANPC1TSHRHPGDKDM4E
SCHEMBL14165125 0.82 ALDH1A1 (0.34) LMNAPKMNPC1TSHRHPGD
SCHEMBL4921108 0.82 SCN9A (0.44) LMNAPKMMEN1KMT2APDCD1
SCHEMBL14165223 0.82 KDM4E (0.38) LMNAPKMHEXAHEXBRAB9A
SCHEMBL10064200 0.81 ALDH1A1 (0.41) LMNAPKMNPC1TSHRHPGD
SCHEMBL10064726 0.80 LMNA (0.43) LMNAPKMNPC1HPGDKDM4E
SCHEMBL10064294 0.80 HTT (0.38) LMNARAB9AHPGDKDM4EMEN1
SCHEMBL18373292 0.79 KDM4E (0.36) LMNAHPGDKDM4EALDH1A1MTNR1A

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-20080139493-A1 Bi- or Tetra-Guanidino-Biphenyl Compounds as Small Molecule Carriers UCL BUSINESS PLC (GB) 2008-06-12 — — US disclosed
US-20080139493-A1 Bi- or Tetra-Guanidino-Biphenyl Compounds as Small Molecule Carriers UCL BUSINESS PLC (GB) 2008-06-12 — — 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-20080139493-A1 Bi- or Tetra-Guanidino-Biphenyl Compounds as Small Molecule Carriers CBR3, CBR1, KCNQ3 LMNA 1393/4885PKM 4011/4885HEXA 2740/4885

“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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