SCHEMBL1109518

SCHEMBL1109518

CN1CCN(c2ccc(-c3ccc(C(=O)N[C@@H](CN)C(=O)NO)cc3)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 7/20 0.49
HDAC3 O15379 4/20 0.49
HDAC8 Q9BY41 2/20 0.48
RAB9A P51151 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DYRK1A Q13627 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC10 Q969S8 1/20 0.43

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
SCHEMBL1109557 0.90 HDAC6 (0.48) HDAC2HDAC3SMN1; SMN2
SCHEMBL1109418 0.90 HDAC6 (0.48) HDAC2HDAC3SMN1; SMN2
SCHEMBL1912265 0.88 HDAC6 (0.52) HDAC8SMN1; SMN2HDAC1HDAC10
SCHEMBL1912222 0.88 KCNH2 (0.49) HDAC2HDAC3HDAC1HDAC10
SCHEMBL404189 0.87 RAB9A (0.45) HDAC2HDAC3RAB9AL3MBTL1SMN1; SMN2
SCHEMBL1912217 0.83 RAB9A (0.48) HDAC2HDAC3HDAC8RAB9AL3MBTL1
SCHEMBL1109521 0.79 HDAC6 (0.62) HDAC2HDAC3HDAC8HDAC1HDAC10
SCHEMBL1109400 0.78 CTSB (0.47) RAB9ADYRK1A
SCHEMBL1109520 0.77 KCNQ3 (0.47) DYRK1A
SCHEMBL405031 0.77 ACACB (0.41) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 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 (6 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS HDAC2 2776/4885HDAC3 2114/4885HDAC8 2159/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS HDAC2 2776/4885HDAC3 2114/4885HDAC8 2159/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS HDAC2 2776/4885HDAC3 2114/4885HDAC8 2159/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC2 2776/4885HDAC3 2114/4885HDAC8 2159/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC2 2776/4885HDAC3 2114/4885HDAC8 2159/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS HDAC2 2776/4885HDAC3 2114/4885HDAC8 2159/4885

“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.