SCHEMBL277976

SCHEMBL277976

CCCCCCCCCCNOCCCN

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.48
EPHX1 P07099 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
RELA Q04206 4/20 0.41
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36

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
SCHEMBL28670191 1.00 DNM1 (0.48) DNM1EPHX1ALDH1A1TSHRMEN1
SCHEMBL10994155 0.92 DNM1 (0.48) DNM1EPHX1ALDH1A1TSHRMEN1
SCHEMBL9013813 0.92 DNM1 (0.48) DNM1EPHX1ALDH1A1TSHRMEN1
SCHEMBL8050512 0.92 DNM1 (0.48) DNM1EPHX1ALDH1A1TSHRMEN1
SCHEMBL8052573 0.92 DNM1 (0.48) DNM1EPHX1ALDH1A1TSHRMEN1
SCHEMBL8048707 0.92 DNM1 (0.48) DNM1EPHX1ALDH1A1TSHRMEN1
SCHEMBL20160771 0.87 DNM1 (0.40) DNM1EPHX1ALDH1A1TSHRMEN1
SCHEMBL10705860 0.87 EPHX1 (0.46) EPHX1ALDH1A1TSHRCA1CA2
SCHEMBL466284 0.87 EPHX1 (0.46) EPHX1ALDH1A1TSHRCA1CA2
SCHEMBL10520996 0.87 EPHX1 (0.46) EPHX1ALDH1A1TSHRCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133694-B2 Analyzing metabolites, binding proteins; cyanoalkylation; competitive binding; immunoassay; kits IMMUNDIAGNOSTIK AG (DE) 2012-03-13 US disclosed
US-20050014211-A1 Functional vitamin D derivatives and method of determining 25-hydroxy- and 1alpha, 25-dihydroxy vitamin D BIOMEDICA GMBH (AT) 2005-01-20 US disclosed
US-6787660-B1 CYANOETHYLATING 3-HYDROXY GROUP, REDUCING TO AMINE AND LINKING WITH SPACER CONTAINING FUNCTIONAL GROUP; COMPETITIVE PROTEIN BINDING ANALYSIS IMMUNDIAGNOSTIK AG (DE) 2004-09-07 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-20050014211-A1 Functional vitamin D derivatives and method of determining 25-hydroxy- and 1alpha, 25-dihydroxy vitamin D CYP24A1, CYP2R1, VDR DNM1 3079/4885EPHX1 303/4885ALDH1A1 316/4885

“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.