SCHEMBL6546327

SCHEMBL6546327

NC(C[O])Cc1cnc[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.61
HRH3 Q9Y5N1 7/20 0.61
ALDH1A1 P00352 3/20 0.61
NFKB1 P19838 2/20 0.61
MEN1 O00255 1/20 0.61
GLA P06280 1/20 0.61
KMT2A Q03164 1/20 0.61
CYP1A2 P05177 1/20 0.61
THPO P40225 1/20 0.61
LMNA P02545 2/20 0.59
APEX1 P27695 2/20 0.59
BLM P54132 1/20 0.59
CYP3A4 P08684 2/20 0.59
SLC7A5 Q01650 1/20 0.59
HRH2 P25021 2/20 0.47
TSHR P16473 2/20 0.47
MIF P14174 1/20 0.47
HRH1 P35367 1/20 0.47
CPB2 Q96IY4 1/20 0.46
SMN1; SMN2 Q16637 1/20 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
SCHEMBL13779893 0.82 HRH3 (0.63) HRH4HRH3ALDH1A1NFKB1MEN1
SCHEMBL4506698 0.81 HRH3 (0.61) HRH4HRH3ALDH1A1NFKB1MEN1
Histidinol SCHEMBL10002446 0.81 HRH4 (0.61) HRH4HRH3ALDH1A1NFKB1MEN1
SCHEMBL21242759 0.81 HRH3 (0.61) HRH4HRH3ALDH1A1NFKB1MEN1
Histidinol SCHEMBL6546332 0.81 HRH4 (0.61) HRH4HRH3ALDH1A1NFKB1MEN1
Histidinol SCHEMBL407337 0.81 HRH4 (0.61) HRH4HRH3ALDH1A1NFKB1MEN1
Histidinol SCHEMBL29986891 0.79 HRH4 (0.62) HRH4HRH3ALDH1A1NFKB1MEN1
SCHEMBL17846600 0.79 CYP3A4 (0.66) HRH4HRH3ALDH1A1NFKB1MEN1
SCHEMBL12328968 0.76
SCHEMBL3925179 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6696500-B2 BIOACTIVE SUBSTANCE HAVING ACIDIC GROUP AND A BIODEGRADABLE POLYMER HAVING AN OPTIONALLY PROTECTED BASIC GROUP, SUCH AS A POLYLACTONE THAT HAS BEEN ESTERIFIED, AMIDATED, OR THIOESTERIFIED WITH A COMPOUND HAVING CYCLIC AMINO GROUPS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-02-24 US disclosed
EP-0815853-B1 Sustained-release preparation for bioactive substance having an acidic group TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-21 EP disclosed
US-20010038854-A1 Sustained-release preparation TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2001-11-08 US disclosed
US-6264970-B1 BIODEGRADABLE POLYMER TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-0815853-A2 Sustained-release preparation for bioactive substance having an acidic group TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-07 EP 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-20010038854-A1 Sustained-release preparation BMP2, PGF, AREG HRH4 3006/4885HRH3 2996/4885ALDH1A1 2581/4885

“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.