SCHEMBL3030823

SCHEMBL3030823

CNCCNCC(O)CNC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 2/20 0.35
KDM4E B2RXH2 5/20 0.34
CARM1 Q86X55 2/20 0.32
ALOX15 P16050 1/20 0.32
ALDH1A1 P00352 1/20 0.30
HTR1A P08908 1/20 0.30
THPO P40225 1/20 0.30
BLM P54132 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NMUR2 Q9GZQ4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CYP2C9 P11712 1/20 0.30
HIF1A Q16665 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
SLC6A2 P23975 1/20 0.30

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
SCHEMBL3016252 0.86 KISS1R (0.37) KISS1RKDM4ECARM1ALOX15ALDH1A1
SCHEMBL3030406 0.84 KDM4E (0.40) KISS1RKDM4ECARM1ALOX15ALDH1A1
SCHEMBL13492697 0.83 ANPEP (0.41) KISS1RKDM4ECARM1ALOX15THPO
SCHEMBL3719558 0.83 TSHR (0.40) KISS1RKDM4ECARM1ALOX15ALDH1A1
SCHEMBL18030759 0.83 KDM4E (0.38) KDM4EALDH1A1
SCHEMBL18177691 0.81 KDM4E (0.35) KDM4E
SCHEMBL2246543 0.81
SCHEMBL13492696 0.79 TSHR (0.42) KISS1RKDM4EALOX15ALDH1A1
SCHEMBL1741226 0.77
SCHEMBL14360756 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100189656-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-07-29 US disclosed
US-20100189656-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-07-29 US disclosed
US-20100189656-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-07-29 US disclosed
WO-2009005364-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-01-08 WO disclosed
WO-2009005364-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-01-08 WO disclosed
US-20080300231-A1 Antibacterial amide macrocycles VI BAYER HEALTHCARE AG (DE) 2008-12-04 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 (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-20080300231-A1 Antibacterial amide macrocycles VI AADAC, AAAS, NOD2 KISS1R 3422/4885KDM4E 3259/4885CARM1 4776/4885
US-20100189656-A1 CONTRAST AGENTS IPO4, TPO, IPO11 KISS1R 4331/4885KDM4E 3535/4885CARM1 2960/4885

“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.