SCHEMBL2157416

SCHEMBL2157416

Cc1ccncc1-c1c(Cl)c(C(N)=O)c2n1CCCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 6/20 0.41
▸ TDP1 Q9NUW8 2/20 0.38
▸ SIRT3 Q9NTG7 1/20 0.38
▸ CYP11B1 P15538 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LCK P06239 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ MAP4K1 Q92918 3/20 0.33
▸ HASPIN Q8TF76 1/20 0.33
▸ USP14 P54578 1/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL7955823 0.80 MKNK1 (0.41) TDP1KDM4EALDH1A1LMNAHTT
SCHEMBL895772 0.80 MKNK1 (0.41) CYP11B2ALDH1A1MAPTMEN1KMT2A
SCHEMBL2157173 0.77 ABCC1 (0.37) CYP11B2CYP11B1KDM4EALDH1A1HTT
SCHEMBL7955530 0.77 HPGD (0.39) KDM4EALDH1A1LMNAMAPTHPGD
Trifluoroacetic Acid SCHEMBL4040207 0.77 ACVR1 (0.35) CYP11B2TDP1SIRT3LCKBTK
SCHEMBL7946379 0.76 CYP11B2 (0.42) CYP11B2KDM4EALDH1A1LMNAMAPT
SCHEMBL7946555 0.76 PLAU (0.38) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL2158167 0.75 SIRT3 (0.46) CYP11B2TDP1SIRT3CYP11B1LCK
SCHEMBL2348458 0.74 CYP11B2 (0.33) CYP11B2TDP1SIRT3CYP11B1ALDH1A1
SCHEMBL7953707 0.74 KDM4E (0.46) CYP11B2TDP1KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2361253-A1 COMPOUNDS Selcia Limited (GB) 2011-08-31 — — EP claimed
US-20110184011-A1 Compounds SELCIA LIMITED (GB) 2011-07-28 — — US claimed
WO-2010029364-A1 COMPOUNDS SELCIA LIMITED (GB) 2010-03-18 — — WO claimed
EP-2361253-A1 COMPOUNDS Selcia Limited (GB) 2011-08-31 — — EP disclosed
US-20110184011-A1 Compounds SELCIA LIMITED (GB) 2011-07-28 — — US disclosed
WO-2010029364-A1 COMPOUNDS SELCIA LIMITED (GB) 2010-03-18 — — 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 (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-20110184011-A1 Compounds COL1A1, ALDH1A2, COL2A1 CYP11B2 164/4885TDP1 1545/4885SIRT3 299/4885

“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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