SCHEMBL20340463

SCHEMBL20340463

COc1cc(NC2(C(N)=O)CCCCC2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 3/20 0.40
LMNA P02545 1/20 0.39
SORT1 Q99523 1/20 0.38
KCNK3 O14649 1/20 0.37
KCNK9 Q9NPC2 1/20 0.37
NR4A2 P43354 1/20 0.36
DHODH Q02127 1/20 0.36
CTSK P43235 4/20 0.36
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
RPS6KA2 Q15349 1/20 0.36
LOX P28300 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CNR1 P21554 1/20 0.35
FAAH O00519 1/20 0.35
P2RX7 Q99572 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
SCHEMBL17141450 0.84 JAK2 (0.41) SCN10ASORT1KCNK3KCNK9JAK2
SCHEMBL17140641 0.80 JAK2 (0.55) JAK2JAK1ALDH1A1
SCHEMBL20340394 0.75 CTSK (0.57) CTSKALDH1A1FAAH
SCHEMBL17140645 0.75 JAK2 (0.37) SCN10ASORT1JAK2JAK1RPS6KA2
SCHEMBL20340464 0.74 GAA (0.58) SCN10A
SCHEMBL30930477 0.73 SORT1 (0.51) SCN10ASORT1KCNK3KCNK9RPS6KA2
SCHEMBL20310370 0.73 SORT1 (0.51) SCN10ASORT1KCNK3KCNK9RPS6KA2
SCHEMBL20340380 0.71 ALDH1A1 (0.45) LMNACTSKLOXL2ALDH1A1
SCHEMBL2542108 0.70 CYP1A2 (0.50) CTSKALDH1A1HDAC4FAAH
SCHEMBL6472291 0.69 KMT2A (0.40) SORT1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10011601-B2 Substituted spirocyclic inhibitors of autotaxin X-RX, INC. (US) 2018-07-03 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-10011601-B2 Substituted spirocyclic inhibitors of autotaxin ENPP2, SLC10A1, CXCR3 SCN10A 182/4885LMNA 3178/4885SORT1 1802/4885

“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.