SCHEMBL20133399

SCHEMBL20133399

NCCCCC(NC(=O)C(CCCCN)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
QRFPR Q96P65 1/20 0.43
TLR2 O60603 1/20 0.41
FOLH1 Q04609 3/20 0.40
ROCK2 O75116 2/20 0.40
NMT1 P30419 4/20 0.39
NMT2 O60551 3/20 0.39
HPGDS O60760 1/20 0.39
NOD1 Q9Y239 1/20 0.39
SIRT5 Q9NXA8 1/20 0.38
HRH1 P35367 1/20 0.38
PRKACA P17612 1/20 0.38
AKT3 Q9Y243 1/20 0.38

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
SCHEMBL20133400 0.86 FOLH1 (0.44) QRFPRFOLH1HPGDSNOD1
SCHEMBL15295145 0.82 FOLH1 (0.49) TLR2FOLH1ROCK2NMT1NMT2
SCHEMBL14300277 0.80 FOLH1 (0.44) FOLH1HPGDSNOD1
SCHEMBL1227505 0.79 TLR2 (0.49) TLR2FOLH1ROCK2NMT1NMT2
SCHEMBL17087779 0.78 QRFPR (0.34) QRFPRTLR2FOLH1ROCK2HRH1
SCHEMBL16330790 0.78 SIRT5 (0.50) TLR2FOLH1ROCK2SIRT5
SCHEMBL26440808 0.78 FOLH1 (0.42) QRFPRFOLH1
SCHEMBL24618910 0.77 CHRM5 (0.44) FOLH1
SCHEMBL22574289 0.77 CHRM5 (0.44) FOLH1
SCHEMBL22488337 0.77 FOLH1 (0.62) FOLH1

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-20200108159-A1 RADIOTHERAPEUTIC AND COMPANION IMAGING AGENTS TO TARGET MC1R WAKE FOREST UNIVERSITY 2020-04-09 US disclosed
US-20180126013-A1 RADIOTHERAPEUTIC AND COMPANION IMAGING AGENTS TO TARGET MC1R WAKE FOREST UNIVERSITY 2018-05-10 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-20180126013-A1 RADIOTHERAPEUTIC AND COMPANION IMAGING AGENTS TO TARGET MC1R MC1R, MC3R, MC5R QRFPR 137/4885TLR2 1575/4885FOLH1 82/4885
US-20200108159-A1 RADIOTHERAPEUTIC AND COMPANION IMAGING AGENTS TO TARGET MC1R MC1R, MC3R, MC5R QRFPR 137/4885TLR2 1575/4885FOLH1 82/4885

“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.