SCHEMBL2146199

SCHEMBL2146199

O=C(O)c1cnc(C2CNCCN2)s1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.40
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
PARP1 P09874 1/20 0.34
RXRA P19793 3/20 0.32
RXRB P28702 3/20 0.32
RXRG P48443 3/20 0.32
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
RARB P10826 2/20 0.30
RARG P13631 2/20 0.30
RARA P10276 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
SCHEMBL16644643 0.75 ROCK2 (0.38) ROCK2ROCK1
SCHEMBL16703224 0.71 HCAR2 (0.50) HCAR2RXRARXRBRXRGRARB
SCHEMBL23146241 0.68 HCAR2 (0.47) HCAR2RXRARXRBRXRGRARB
SCHEMBL2406553 0.67 HCAR2 (0.46) HCAR2RXRARXRBRXRGRARB
SCHEMBL16794314 0.66 SMN1; SMN2 (0.43) HCAR2
SCHEMBL787918 0.65 CHRM2 (0.39) ROCK2ROCK1PARP1
SCHEMBL11300941 0.65 KDM4C (0.39) PARP1
SCHEMBL30908520 0.65 HCAR2 (0.43) HCAR2RXRARXRBRXRGRARB
SCHEMBL12900542 0.64 BAZ2A (0.38) ROCK2ROCK1PARP1SLC6A3KCNH2
SCHEMBL7526250 0.64 KDM4E (0.44) PARP1

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-20140364610-A1 COMPOUND SUITABLE FOR THE TREATMENT OF SYNUCLEOPATHIES NEUROPORE THERAPIES, INC. 2014-12-11 US disclosed
US-8846682-B2 Compound suitable for the treatment of synucleopathies NEUROPORE THERAPIES, INC. (US) 2014-09-30 US disclosed
US-20130035342-A1 Compound Suitable for the Treatment of Synucleopathies NEUROPORE THERAPIES, INC. (US) 2013-02-07 US disclosed
EP-2513090-A1 COMPOUND SUITABLE FOR THE TREATMENT OF SYNUCLEOPATHIES Neuropore Therapies, Inc. (US) 2012-10-24 EP disclosed
WO-2011084642-A1 COMPOUND SUITABLE FOR THE TREATMENT OF SYNUCLEOPATHIES NEUROPORE THERAPIES, INC. (US) 2011-07-14 WO 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-20130035342-A1 Compound Suitable for the Treatment of Synucleopathies SNCA, HTT, SMN1; SMN2 HCAR2 2356/4885ROCK2 2292/4885ROCK1 1901/4885
US-20140364610-A1 COMPOUND SUITABLE FOR THE TREATMENT OF SYNUCLEOPATHIES SNCA, HTT, MAPT HCAR2 3837/4885ROCK2 2159/4885ROCK1 2886/4885

“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.