SCHEMBL12744425

SCHEMBL12744425

CNS(=O)(=O)CCSc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
KMT2A Q03164 5/20 0.50
MAPT P10636 4/20 0.50
LMNA P02545 4/20 0.50
HTT P42858 2/20 0.50
MEN1 O00255 2/20 0.49
PKM P14618 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
HPGD P15428 2/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 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
SCHEMBL7208033 0.74 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2KMT2AMAPTLMNA
SCHEMBL6987050 0.73 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KMT2AMAPTLMNA
SCHEMBL27175668 0.73 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KMT2AMAPTLMNA
SCHEMBL5020551 0.72 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2KMT2AMAPTLMNA
SCHEMBL4686390 0.72 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2KMT2AMAPTLMNA
SCHEMBL31403216 0.71 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KMT2AMAPTLMNA
SCHEMBL8902135 0.69 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2KMT2AMAPTLMNA
SCHEMBL422519 0.69 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KMT2AMAPTLMNA
SCHEMBL28273654 0.69 KMT2A (0.62) ALDH1A1SMN1; SMN2KMT2AMAPTLMNA
SCHEMBL12744426 0.69 ALOX15 (0.36) ALDH1A1SMN1; SMN2KMT2ALMNAPKM

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-7910611-B2 Therapeutic agent for restenosis KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-03-22 US disclosed
US-20100029625-A1 Therapeutic Agent for Restenosis KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-02-04 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-20100029625-A1 Therapeutic Agent for Restenosis NR1H2, NR1H3, LDLR ALDH1A1 1876/4885SMN1; SMN2 4151/4885KMT2A 2642/4885

“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.