SCHEMBL1312170

SCHEMBL1312170

CCCCC(=O)CCCCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.60
▸ ALDH1A1 P00352 5/20 0.56
▸ TSHR P16473 1/20 0.50
▸ FAAH O00519 1/20 0.49
▸ MAPT P10636 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ BCL9 O00512 1/20 0.46
▸ CTNNB1 P35222 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ IAPP P10997 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ MGLL Q99685 1/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45

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
SCHEMBL16995172 0.91 ALDH1A1 (0.59) KCNH2ALDH1A1TSHRFAAHMAPT
SCHEMBL4310058 0.86 KCNH2 (0.77) KCNH2ALDH1A1TSHRMAPTKMT2A
SCHEMBL8743949 0.86 KCNH2 (0.77) KCNH2ALDH1A1TSHRMAPTKMT2A
SCHEMBL4190401 0.86 KCNH2 (0.77) KCNH2ALDH1A1TSHRMAPTKMT2A
SCHEMBL25174460 0.86 KCNH2 (0.77) KCNH2ALDH1A1TSHRMAPTKMT2A
SCHEMBL25171490 0.86 KCNH2 (0.77) KCNH2ALDH1A1TSHRMAPTKMT2A
SCHEMBL11075250 0.86 KCNH2 (0.77) KCNH2ALDH1A1TSHRMAPTKMT2A
SCHEMBL6678908 0.86 KCNH2 (0.77) KCNH2ALDH1A1TSHRMAPTKMT2A
SCHEMBL1881781 0.86 KCNH2 (0.77) KCNH2ALDH1A1TSHRMAPTKMT2A
Ammonia Solution, Strong SCHEMBL16497027 0.84 KCNH2 (0.75) KCNH2ALDH1A1TSHRMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 — — US disclosed
WO-2010033701-A2 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION (US) 2010-03-25 — — 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 (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-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 SPHK1, SPHK2, S1PR1 KCNH2 2109/4885ALDH1A1 1495/4885TSHR 3295/4885

“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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