SCHEMBL13921663

SCHEMBL13921663

CNc1cccc(CN=[N+]=[N-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.36
▸ TSHR P16473 1/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC2 Q92769 2/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ SIGMAR1 Q99720 3/20 0.32
▸ GRIN2D O15399 3/20 0.32
▸ GRIN3B O60391 3/20 0.32
▸ GRIN1 Q05586 3/20 0.32
▸ GRIN2A Q12879 3/20 0.32
▸ GRIN2B Q13224 3/20 0.32
▸ GRIN2C Q14957 3/20 0.32
▸ GRIN3A Q8TCU5 3/20 0.32
▸ RAPGEF4 Q8WZA2 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ KAT2B Q92831 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HTR6 P50406 1/20 0.31

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
SCHEMBL13887515 0.81 GRIN2D (0.43) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL28569398 0.79 GAA (0.34) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL28580318 0.79 ALDH1A1 (0.40) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL28945868 0.78 MAPT (0.42) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL14648573 0.77 TAAR1 (0.46) TAAR1
SCHEMBL14872978 0.77 PDE2A (0.39) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL18905641 0.75 TSHR (0.48) APPTSHRSIGMAR1GRIN2DGRIN3B
SCHEMBL13855831 0.74 HTR3E (0.52) SIGMAR1GRIN2BTAAR1
SCHEMBL13921656 0.73 GRK2 (0.35) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL14406013 0.73 SLC7A5 (0.51) HDAC1HDAC2HDAC3HDAC8HDAC6

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
EP-2962692-A1 AGENT FOR PREVENTING AND/OR TREATING OCULAR INFLAMMATORY DISEASE Kyowa Hakko Kirin Co., Ltd. (JP) 2016-01-06 — — EP disclosed
US-8188241-B2 Immobilized proteins and methods and uses thereof UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-05-29 — — US disclosed
US-20090069548-A1 Immobilized Proteins and Methods and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-12 — — 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-20090069548-A1 Immobilized Proteins and Methods and Uses Thereof STUB1, MARCKS, SUMO3 APP 2422/4885TSHR 3652/4885HDAC1 2135/4885

“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.

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