SCHEMBL5838487

SCHEMBL5838487

NCCNCCN(CCN)C(=O)c1cc(C(=O)N(CCN)CCNCCN)cc(C(=O)N(CCN)CCNCCN)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK2 Q16620 1/20 0.46
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LIMK2 P53671 2/20 0.35
CA12 O43570 3/20 0.34
CA6 P23280 3/20 0.34
CA7 P43166 3/20 0.34
CA9 Q16790 3/20 0.34
CA14 Q9ULX7 3/20 0.34
CA5B Q9Y2D0 3/20 0.34
RECQL P46063 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
REN P00797 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
CA2 P00918 2/20 0.33
CA3 P07451 2/20 0.33
CA4 P22748 2/20 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
SCHEMBL14519209 0.85 NTRK2 (0.44) NTRK2LIMK2RECQLALDH1A1LMNA
SCHEMBL18249527 0.76 NTRK2 (0.55) NTRK2CYP2C19MEN1KMT2AALDH1A1
SCHEMBL7155724 0.74 NTRK2 (0.40) NTRK2LIMK2RECQLALDH1A1LMNA
SCHEMBL2781653 0.73 ROCK1 (0.37) NTRK2CYP2C9CYP2C19LIMK2MEN1
SCHEMBL19524518 0.71 CA12 (0.41) CYP2C9CYP2C19CA12CA6CA7
SCHEMBL19285672 0.69 CES2 (0.50)
SCHEMBL14327337 0.68 ADRA2C (0.56) CYP2C19LIMK2RECQLMEN1KMT2A
SCHEMBL30906970 0.68 CYP2C9 (0.35) CYP2C9CYP2C19CA12CA6CA7
Isophthalic Acid SCHEMBL589816 0.68 KDM4E (0.49) CYP2C9CYP2C19CA12CA6CA9
SCHEMBL16276206 0.68 ADRA2C (0.51) NTRK2LIMK2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020016451-A1 SOLUTION PHASE BIOPOLYMER SYNTHESIS CAPROTEC BIOANALYTICS GMBH (DE) 2002-02-07 US claimed
US-20020007048-A1 Solution Phase Biopolymer Synthesis CAPROTEC BIOANALYTICS GMBH (DE) 2002-01-17 US claimed
US-7094943-B2 Solution phase biopolymer synthesis Köster, Hubert (US) 2006-08-22 US disclosed
US-7038103-B2 Solution phase biopolymer synthesis HUBERT KOSTER (CH) 2006-05-02 US disclosed
US-20020016451-A1 SOLUTION PHASE BIOPOLYMER SYNTHESIS CAPROTEC BIOANALYTICS GMBH (DE) 2002-02-07 US disclosed
US-20020007048-A1 Solution Phase Biopolymer Synthesis CAPROTEC BIOANALYTICS GMBH (DE) 2002-01-17 US disclosed
EP-1073668-A2 SOLUTION PHASE BIOPOLYMER SYNTHESIS Köster, Hubert (US) 2001-02-07 EP disclosed
WO-1999055718-A2 SOLUTION PHASE BIOPOLYMER SYNTHESIS KOESTER HUBERT (US) 1999-11-04 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-20020007048-A1 Solution Phase Biopolymer Synthesis RNGTT, SGMS1, SPNS2 NTRK2 3944/4885CYP2C9 4822/4885CYP2C19 4848/4885
US-20020016451-A1 SOLUTION PHASE BIOPOLYMER SYNTHESIS RNGTT, SGMS1, SPNS2 NTRK2 3944/4885CYP2C9 4822/4885CYP2C19 4848/4885

“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.