SCHEMBL19504086

SCHEMBL19504086

CCCCCCC(CC)Cc1csc(C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
TSHR P16473 2/20 0.36
HTT P42858 2/20 0.36
SLC6A3 Q01959 3/20 0.35
GAA P10253 2/20 0.35
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
POLB P06746 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32

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
SCHEMBL18893340 0.94 MAPT (0.39) MAPTLMNASMN1; SMN2TSHRHTT
SCHEMBL22431621 0.91 MAPT (0.38) MAPTLMNASMN1; SMN2TSHRHTT
SCHEMBL16411393 0.78 SLC6A3 (0.36) TSHRHTTSLC6A3ALDH1A1TDP1
SCHEMBL18884252 0.75 KCNH2 (0.50) MAPTLMNASMN1; SMN2TSHRHTT
SCHEMBL8697797 0.75 KCNH2 (0.50) MAPTLMNASMN1; SMN2TSHRHTT
SCHEMBL18893282 0.75 SLC6A3 (0.37) LMNASLC6A3
SCHEMBL18893329 0.74 LMNA (0.35) LMNASMN1; SMN2TSHRHTTSLC6A3
SCHEMBL21776299 0.72 SLC6A3 (0.40) LMNASMN1; SMN2TSHRHTTSLC6A3
SCHEMBL18647864 0.71 LMNA (0.35) MAPTLMNASMN1; SMN2TSHRHTT
SCHEMBL18884234 0.71 LMNA (0.35) MAPTLMNASMN1; SMN2TSHRHTT

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-20170305893-A1 HETEROCYCLIC COMPOUNDS AS DCTPP1 MODULATORS THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2017-10-26 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-20170305893-A1 HETEROCYCLIC COMPOUNDS AS DCTPP1 MODULATORS DCTPP1, ENPP1, PPA1 MAPT 3017/4885LMNA 4551/4885SMN1; SMN2 2431/4885

“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.