SCHEMBL10044829

SCHEMBL10044829

NCCCC(CCN)CCN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.40
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA3 P07451 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
LMNA P02545 2/20 0.38
BLM P54132 2/20 0.38
DNM1 Q05193 1/20 0.38
TSHR P16473 1/20 0.38
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
CYP3A4 P08684 2/20 0.33
ALDH1A1 P00352 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
SCHEMBL1276021 1.00 NFKB1 (0.40) NFKB1CA12CA1CA2CA3
SCHEMBL34891 0.94 NFKB1 (0.44) NFKB1CA12CA1CA2CA3
SCHEMBL717135 0.93 NFKB1 (0.46) NFKB1CA12CA1CA2CA3
SCHEMBL16689964 0.91 ALDH1A1 (0.40) NFKB1CA12CA1CA2CA3
SCHEMBL8642553 0.90 NFKB1 (0.47) NFKB1CA12CA1CA2CA3
SCHEMBL24063969 0.88 NFKB1 (0.32) NFKB1CA12CA1CA2CA3
SCHEMBL473168 0.87 ALDH1A1 (0.42) NFKB1CA12CA1CA2CA3
SCHEMBL4580201 0.87 DNM1 (0.50) NFKB1CA12CA1CA2CA3
SCHEMBL10404714 0.86 NFKB1 (0.50) NFKB1CA12CA1CA2CA3
SCHEMBL21291486 0.86 NFKB1 (0.50) NFKB1CA12CA1CA2CA3

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
CN-119736608-A Selective deposition of inhibitor material and deposition assembly ASM IP私人控股有限公司 2025-04-01 CN disclosed
CN-119663227-A Selective deposition of inhibitor material and deposition assembly ASM IP私人控股有限公司 2025-03-21 CN disclosed
US-8124806-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-02-28 US disclosed
US-8124806-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-02-28 US disclosed
US-20090053142-A1 CONTRAST AGENTS WYNN DUNCAN 2009-02-26 US disclosed
US-20090053142-A1 CONTRAST AGENTS WYNN DUNCAN 2009-02-26 US disclosed
WO-2007094683-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2007-08-23 WO disclosed
US-4600776-A Cationic enamine dyestuff indolylmethine derivatives BAYER AKTIENGESELLSCHAFT (DE) 1986-07-15 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-20090053142-A1 CONTRAST AGENTS IPO4, TPO, IPO11 NFKB1 1447/4885CA12 539/4885CA1 731/4885

“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.