SCHEMBL6431470

SCHEMBL6431470

NCCCNC[C@H](N)CCCN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.48
CA6 P23280 4/20 0.48
CA7 P43166 4/20 0.48
CA9 Q16790 4/20 0.48
CA14 Q9ULX7 4/20 0.48
CA5B Q9Y2D0 4/20 0.48
CA2 P00918 3/20 0.48
CA4 P22748 3/20 0.48
CA5A P35218 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CASP2 P42575 2/20 0.48
F13A1 P00488 2/20 0.48
CYP1A2 P05177 2/20 0.48
ALOX15 P16050 2/20 0.48
THPO P40225 2/20 0.48
RECQL P46063 2/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CA3 P07451 2/20 0.46

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
SCHEMBL6862210 1.00 CA12 (0.48) CA12CA6CA7CA9CA14
SCHEMBL5499167 1.00 CA12 (0.48) CA12CA6CA7CA9CA14
SCHEMBL3062040 0.96 CASP2 (0.56) CA12CA6CA7CA9CA14
SCHEMBL174573 0.89 CA12 (0.58) CA12CA6CA7CA9CA14
SCHEMBL175639 0.87 CA12 (0.56) CA12CA6CA7CA9CA14
SCHEMBL5085745 0.87 CASP2 (0.41) CA12CA6CA7CA9CA14
SCHEMBL114607 0.86 CA12 (0.48) CA12CA6CA7CA9CA14
SCHEMBL351230 0.86 CA12 (0.48) CA12CA6CA7CA9CA14
SCHEMBL174695 0.86 CA12 (0.48) CA12CA6CA7CA9CA14
SCHEMBL214897 0.86 TDP1 (0.45) CA12CA6CA7CA9CA14

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254161-B1 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE BASILEA PHARMACEUTICA AG (CH) 2005-04-20 EP claimed
US-6849709-B2 Aerothricin derivatives BASILEA PHARMACEUTICA AG (CH) 2005-02-01 US claimed
EP-1254161-A2 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE Basilea Pharmaceutica AG (CH) 2002-11-06 EP claimed
US-20010031728-A1 Aerothricin derivatives F. HOFFMANN-LA ROCHE AG A SWISS COMPANY (CH) 2001-10-18 US claimed
WO-2001053322-A2 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE BASILEA PHARMACEUTICA AG (CH) 2001-07-26 WO claimed
EP-1254161-B1 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE BASILEA PHARMACEUTICA AG (CH) 2005-04-20 EP disclosed
US-6849709-B2 Aerothricin derivatives BASILEA PHARMACEUTICA AG (CH) 2005-02-01 US disclosed
EP-1251827-B1 NASALLY ADMINISTRABLE ANTIFUNGAL CYCLIC PEPTIDE COMPOSITIONS BASILEA PHARMACEUTICA AG (CH) 2004-05-26 EP disclosed
EP-1254161-A2 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE Basilea Pharmaceutica AG (CH) 2002-11-06 EP disclosed
EP-1251827-A2 NASALLY ADMINISTRABLE CYCLIC PEPTIDE COMPOSITIONS Basilea Pharmaceutica AG (CH) 2002-10-30 EP disclosed
US-20010038824-A1 Intranasal cyclic peptide formulations BASILEA PHARMACEUTICA AG (CH) 2001-11-08 US disclosed
US-20010031728-A1 Aerothricin derivatives F. HOFFMANN-LA ROCHE AG A SWISS COMPANY (CH) 2001-10-18 US disclosed
WO-2001052894-A2 NASALLY ADMINISTRABLE CYCLIC PEPTIDE COMPOSITIONS BASILEA PHARMACEUTICA AG (CH) 2001-07-26 WO disclosed
WO-2001053322-A2 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE BASILEA PHARMACEUTICA AG (CH) 2001-07-26 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 (2 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-20010031728-A1 Aerothricin derivatives CIAPIN1, CYP27A1, CYP46A1 CA12 1936/4885CA6 1076/4885CA7 625/4885
US-20010038824-A1 Intranasal cyclic peptide formulations VIP, NPPA, SSTR5 CA12 2313/4885CA6 3310/4885CA7 2934/4885

“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.