SCHEMBL3106399

SCHEMBL3106399

NC(=O)c1[c]ccnc1N1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.40
▸ SIRT3 Q9NTG7 1/20 0.40
▸ NEK2 P51955 1/20 0.39
▸ PLAU P00749 3/20 0.38
▸ CYP1A2 P05177 3/20 0.36
▸ CYP2C19 P33261 3/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ SCN10A Q9Y5Y9 3/20 0.36
▸ CDC7 O00311 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 1/20 0.34

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
SCHEMBL4168206 0.83 HRH3 (0.43) NEK2MEN1KMT2AKDM4EALDH1A1
SCHEMBL4190065 0.82 HRH3 (0.43) —
SCHEMBL28145053 0.74 SIRT2 (0.43) SIRT2SIRT1SIRT3NEK2PLAU
SCHEMBL29546527 0.72 SIRT2 (0.46) SIRT2SIRT1SIRT3NEK2PLAU
SCHEMBL5754262 0.72 SIRT2 (0.46) SIRT2SIRT1SIRT3NEK2PLAU
SCHEMBL21807081 0.72 TSHR (0.37) CYP1A2CYP2C19CYP2C9MEN1KMT2A
SCHEMBL3379743 0.71 ADORA3 (0.32) TSHR
SCHEMBL3101639 0.71 NAPRT (0.34) KDM4EALDH1A1LMNATSHR
SCHEMBL2826271 0.71 MKNK1 (0.39) SIRT3KMT2AKDM4ECDK8ALDH1A1
SCHEMBL4324262 0.71 MKNK1 (0.36) NEK2TSHR

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-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 — — US claimed
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 — — EP claimed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 — — US claimed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 — — WO claimed
US-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 — — US disclosed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 — — US disclosed
US-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 — — US disclosed
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 — — EP disclosed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 — — US disclosed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 — — 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-20060223996-A1 IL-12 modulatory compounds IL2, IL4, IFNG SIRT2 419/4885SIRT1 429/4885SIRT3 550/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG SIRT2 419/4885SIRT1 429/4885SIRT3 550/4885

“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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