SCHEMBL2676188

SCHEMBL2676188

CCN(C)CCN1CCCc2cc(Br)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 6/20 0.52
▸ NOS1 P29475 6/20 0.52
▸ KCNH2 Q12809 2/20 0.52
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MAPT P10636 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ SMAD3 P84022 1/20 0.43
▸ HSD17B10 Q99714 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
SCHEMBL2675751 0.87 NOS3 (0.54) NOS3NOS1KCNH2HDAC1HDAC8
SCHEMBL2676049 0.84 NOS3 (0.54) NOS3NOS1KCNH2ALDH1A1MEN1
SCHEMBL14049832 0.84 NOS3 (0.54) NOS3NOS1KCNH2ALDH1A1MEN1
SCHEMBL2675171 0.83 ALDH1A1 (0.48) NOS3NOS1KCNH2HDAC1HDAC8
SCHEMBL23128840 0.81 HSD17B3 (0.52) HDAC1HDAC8HDAC6ALDH1A1MEN1
SCHEMBL2675730 0.79 HDAC1 (0.48) HDAC1HDAC8HDAC6ALDH1A1MEN1
SCHEMBL2675182 0.79 HDAC1 (0.51) HDAC1HDAC8HDAC6ALDH1A1MEN1
SCHEMBL2674711 0.78 NOS3 (0.52) NOS3NOS1KCNH2HDAC1HDAC8
SCHEMBL2675662 0.78 HDAC1 (0.42) NOS3NOS1KCNH2HDAC1HDAC8
SCHEMBL2675974 0.77 HDAC1 (0.50) NOS3NOS1HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173813-B2 selectively inhibit neuronal nitric oxide synthase in combination with other pharmaceutically active agents; antidepressants NEURAXON, INC. (CA) 2012-05-08 — — US disclosed
US-8173813-B2 selectively inhibit neuronal nitric oxide synthase in combination with other pharmaceutically active agents; antidepressants NEURAXON, INC. (CA) 2012-05-08 — — US disclosed
US-8173813-B2 selectively inhibit neuronal nitric oxide synthase in combination with other pharmaceutically active agents; antidepressants NEURAXON, INC. (CA) 2012-05-08 — — US disclosed
CN-101679397-A Quinolone and tetrahydroquinoline having NOS inhibitory activity and related compounds NEURAXON INC 2010-03-24 — — CN disclosed
US-20080234237-A1 QUINOLONE AND TETRAHYDROQUINOLONE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2008-09-25 — — US disclosed
US-20080234237-A1 QUINOLONE AND TETRAHYDROQUINOLONE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2008-09-25 — — US disclosed
US-20080234237-A1 QUINOLONE AND TETRAHYDROQUINOLONE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2008-09-25 — — 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-20080234237-A1 QUINOLONE AND TETRAHYDROQUINOLONE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS1, NOS2, NOS3 NOS3 3/4885NOS1 1/4885KCNH2 2340/4885

“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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