SCHEMBL10150263

SCHEMBL10150263

c1cc(-c2nc3c(c(N4CCOCC4)n2)CCCC3)ccn1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
HTT P42858 1/20 0.56
MTOR P42345 2/20 0.48
TLR9 Q9NR96 1/20 0.46
PRKCI P41743 6/20 0.46
PRKCZ Q05513 4/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.44
PIK3CA P42336 1/20 0.44
MAPT P10636 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
SCHEMBL10150259 0.89 MEN1 (0.55) LMNAPRKCIPRKCZTSHRMEN1
SCHEMBL10150266 0.88 LMNA (0.56) LMNAPRKCIPRKCZTSHRMEN1
SCHEMBL10150269 0.84 PRKCI (0.48) LMNAPRKCIPRKCZTSHRMEN1
SCHEMBL10150275 0.82 MEN1 (0.58) LMNAHTTPRKCIPRKCZTSHR
SCHEMBL5735962 0.80 KDM4E (0.48) LMNAHTTMTORTLR9KDM4E
SCHEMBL5735841 0.80 PIK3CA (0.56) LMNAMTORTLR9KDM4EALDH1A1
SCHEMBL10150246 0.79 METAP1 (0.61) LMNAMTORTSHRKMT2AMAPT
SCHEMBL5733333 0.77 KDM4E (0.56) LMNAHTTMTORKDM4EALDH1A1
SCHEMBL8297541 0.76 PIK3CA (0.57) MTORKDM4EALDH1A1TSHRMEN1
SCHEMBL8299279 0.75 PIK3CA (0.56) LMNAMTORKDM4EALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040935-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS VERTEX PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-20120040935-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS VERTEX PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-7968545-B2 Compositions useful as inhibitors of voltage-gated ion channels VERTEX PHARMACEUTICALS INC. (US) 2011-06-28 US disclosed
US-7968545-B2 Compositions useful as inhibitors of voltage-gated ion channels VERTEX PHARMACEUTICALS INC. (US) 2011-06-28 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-20120040935-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS KCNQ1, KCNN2, KCNH3 LMNA 1783/4885HTT 449/4885MTOR 2977/4885

“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.