SCHEMBL14213528

SCHEMBL14213528

CCOc1nsc(N2CCC(C)CC2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
TSHR P16473 5/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 8/20 0.40
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
MAPK1 P28482 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 5/20 0.36
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CACNA2D1 P54289 1/20 0.34
TP53 P04637 2/20 0.33
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 0.33

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
SCHEMBL14213023 0.88 ALDH1A1 (0.46) ALDH1A1TSHRL3MBTL1ATMSMN1; SMN2
SCHEMBL4860317 0.84 ALDH1A1 (0.42) ALDH1A1TSHRL3MBTL1ATMSMN1; SMN2
SCHEMBL14213045 0.83 ALDH1A1 (0.46) ALDH1A1TSHRL3MBTL1ATMSMN1; SMN2
SCHEMBL4857870 0.82 ALDH1A1 (0.40) ALDH1A1TSHRL3MBTL1ATMSMN1; SMN2
SCHEMBL14213542 0.82 TSHR (0.41) ALDH1A1TSHRL3MBTL1ATMSMN1; SMN2
SCHEMBL14213532 0.81 SMN1; SMN2 (0.37) ALDH1A1TSHRL3MBTL1SMN1; SMN2RAB9A
SCHEMBL12019721 0.79 ALDH1A1 (0.37) ALDH1A1TSHRL3MBTL1ATMSMN1; SMN2
SCHEMBL14213357 0.78 ALDH1A1 (0.37) ALDH1A1TSHRL3MBTL1SMN1; SMN2MAPK1
SCHEMBL13035350 0.76 DPP4 (0.44) ALDH1A1TSHRL3MBTL1ATMSMN1; SMN2
SCHEMBL13035720 0.74 SMN1; SMN2 (0.46) ALDH1A1TSHRL3MBTL1SMN1; SMN2RAB9A

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-7371746-B2 1,2,4-Thiadiazole compounds and pests controlling composition containing the same SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2008-05-13 US disclosed
US-20070004722-A1 1,2,4-Thiadazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-01-04 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-20070004722-A1 1,2,4-Thiadazole compounds and use thereof CYP4F3, CYP4B1, CYP4X1 ALDH1A1 248/4885TSHR 84/4885L3MBTL1 203/4885

“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.