SCHEMBL17840369

SCHEMBL17840369

Nc1ccc(N2CCN(C3CCSCC3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
MAPT P10636 6/20 0.49
GFER P55789 4/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
KMT2A Q03164 4/20 0.49
KDM4E B2RXH2 3/20 0.49
GAA P10253 3/20 0.49
LMNA P02545 3/20 0.49
HTT P42858 2/20 0.49
L3MBTL3 Q96JM7 2/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ADRA2C P18825 1/20 0.49
PTK2B Q14289 1/20 0.49
ESR2 Q92731 1/20 0.49
MEN1 O00255 2/20 0.46
NPC1 O15118 1/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL16446440 0.90 ALDH1A1 (0.72) ALDH1A1MAPTGFERL3MBTL1KMT2A
SCHEMBL1047477 0.88 MAPT (0.57) ALDH1A1MAPTGFERL3MBTL1KMT2A
Hydrochloric Acid SCHEMBL16764224 0.86 MAPT (0.57) ALDH1A1MAPTGFERL3MBTL1KMT2A
SCHEMBL5743020 0.84 L3MBTL1 (0.58) ALDH1A1MAPTGFERL3MBTL1KMT2A
SCHEMBL1045480 0.84 L3MBTL1 (0.58) ALDH1A1MAPTGFERL3MBTL1KMT2A
SCHEMBL1044237 0.83 MAPT (0.58) ALDH1A1MAPTGFERL3MBTL1KMT2A
SCHEMBL16195572 0.81 MAPT (0.50) ALDH1A1MAPTGFERL3MBTL1KMT2A
SCHEMBL22466041 0.81 L3MBTL1 (0.59) ALDH1A1MAPTGFERL3MBTL1KMT2A
SCHEMBL156523 0.80 MAPT (0.68) ALDH1A1MAPTGFERL3MBTL1KMT2A
SCHEMBL3035197 0.78 LGMN (0.60) ALDH1A1MAPTGFERL3MBTL1KMT2A

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-9556148-B2 N-cyanomethylamides as inhibitors of janus kinase CADILA HEALTHCARE LIMITED (IN) 2017-01-31 US disclosed
US-20160176849-A1 N-CYANOMETHYLAMIDES AS INHIBITORS OF JANUS KINASE CADILA HEALTHCARE LIMITED (IN) 2016-06-23 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-20160176849-A1 N-CYANOMETHYLAMIDES AS INHIBITORS OF JANUS KINASE JAK1, JAK3, JAK2 ALDH1A1 2346/4885MAPT 3232/4885GFER 3474/4885

“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.