SCHEMBL201002

SCHEMBL201002

C[C](C)CN1CCSCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
POLB P06746 1/20 0.38
FAAH O00519 1/20 0.36
PHGDH O43175 1/20 0.36
MGLL Q99685 1/20 0.36
LMNA P02545 1/20 0.35
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 2/20 0.33
FDPS P14324 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL27554373 0.85
SCHEMBL8267015 0.80 LMNA (0.40) GAAPOLBLMNAALDH1A1KDM4E
SCHEMBL28236224 0.76 GAA (0.38) GAAPOLBFAAHPHGDHMGLL
SCHEMBL1515457 0.75
SCHEMBL27666537 0.75
SCHEMBL1852780 0.72 ALDH1A1 (0.48) GAAPOLBALDH1A1HTTL3MBTL1
SCHEMBL28131216 0.72 ALDH1A1 (0.48) GAAPOLBALDH1A1HTTL3MBTL1
SCHEMBL6445312 0.72 ALDH1A1 (0.39) GAAFAAHPHGDHMGLLLMNA
SCHEMBL4768884 0.72 HSD17B10 (0.52) GAAFAAHPHGDHMGLLLMNA
SCHEMBL13671235 0.72 LMNA (0.38) GAAPOLBLMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104981470-B Amino-substituted imidazo[1,2-a]pyridinecarboxamides and their use 拜耳制药股份公司 2017-04-19 CN disclosed
US-8088922-B2 Dibenzorylenetetracarboximides as infrared absorbers BASF AKTIENGESELLSCHAFT (DE) 2012-01-03 US disclosed
EP-2029573-B1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS BASF SE (DE) 2011-10-26 EP disclosed
US-20100048904-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS BASF AKTIENGESELLSCHAFT (DE) 2010-02-25 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-20100048904-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS TDO2, C9, CYP3A43 GAA 4647/4885POLB 3004/4885FAAH 586/4885

“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.