SCHEMBL660563

SCHEMBL660563

COc1cccc2c1C(Nc1nc(SC)ncc1CO)CC2

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
HTR1A P08908 10/20 0.39
EGFR P00533 1/20 0.38
C5AR1 P21730 3/20 0.36
DRD2 P14416 2/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL660146 0.83 PDE4B (0.41) HTR1AEGFRC5AR1ACHE
SCHEMBL660046 0.83 EGFR (0.38) HTR1AEGFRACHE
SCHEMBL658213 0.82 ALDH1A1 (0.51) HTT
SCHEMBL661965 0.81 KDM4E (0.37) HTTHTR1AEGFRACHE
SCHEMBL661966 0.81 KDM4E (0.37) HTTHTR1AEGFRACHE
SCHEMBL10192603 0.79 DPP4 (0.37) HTTHTR1AEGFR
SCHEMBL4715006 0.72 MERTK (0.50) HTT
SCHEMBL22860693 0.70 MERTK (0.46) HTT
SCHEMBL2622288 0.70 GABBR2 (0.47) HTT
SCHEMBL4711841 0.69 GABBR2 (0.46) HTT

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS HOLDINGS INC (US) 2014-12-11 US disclosed
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS HOLDINGS INC (US) 2014-12-11 US disclosed
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS HOLDINGS INC (US) 2014-12-11 US disclosed
US-8674095-B2 Compounds for treating neuropsychiatric conditions AFRAXIS HOLDINGS, INC. (US) 2014-03-18 US disclosed
US-8674095-B2 Compounds for treating neuropsychiatric conditions AFRAXIS HOLDINGS, INC. (US) 2014-03-18 US disclosed
US-8674095-B2 Compounds for treating neuropsychiatric conditions AFRAXIS HOLDINGS, INC. (US) 2014-03-18 US disclosed
US-20130096115-A1 METHODS FOR TREATING AUTISM AFRAXIS, INC. (US) 2013-04-18 US disclosed
US-20130096115-A1 METHODS FOR TREATING AUTISM AFRAXIS, INC. (US) 2013-04-18 US disclosed
US-20130096115-A1 METHODS FOR TREATING AUTISM AFRAXIS, INC. (US) 2013-04-18 US disclosed
US-20130059824-A1 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT AFRAXIS, INC. (US) 2013-03-07 US disclosed
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS INC. (US) 2012-02-23 US disclosed
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS INC. (US) 2012-02-23 US disclosed
WO-2011090666-A2 METHODS FOR TREATING AUTISM AFRAXIS, INC. (US) 2011-07-28 WO disclosed
WO-2011063415-A2 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT AFRAXIS, INC. (US) 2011-05-26 WO disclosed
WO-2011063415-A2 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT AFRAXIS, INC. (US) 2011-05-26 WO disclosed
WO-2011044537-A2 METHODS FOR TREATING ALZHEIMER'S DISEASE AFRAXIS, INC. (US) 2011-04-14 WO disclosed
WO-2011044537-A2 METHODS FOR TREATING ALZHEIMER'S DISEASE AFRAXIS, INC. (US) 2011-04-14 WO disclosed
WO-2011009097-A2 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS, INC. (US) 2011-01-20 WO disclosed
WO-2010071846-A2 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS, INC. (US) 2010-06-24 WO disclosed
WO-2010071846-A2 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS, INC. (US) 2010-06-24 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 (4 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-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA GRIN2A, GRIN2C, GRIN3A HTT 2454/4885HTR1A 1117/4885EGFR 3598/4885
US-20130096115-A1 METHODS FOR TREATING AUTISM PAK2, PAK3, PAK4 HTT 1103/4885HTR1A 1237/4885EGFR 4263/4885
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS PAK2, PAK5, PAK6 HTT 98/4885HTR1A 96/4885EGFR 4252/4885
US-20130059824-A1 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT CHAT, PSEN2, PAK2 HTT 1064/4885HTR1A 1180/4885EGFR 3863/4885

“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.