SCHEMBL4846031

SCHEMBL4846031

O=Cc1cn(CC2CO2)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.51
ALDH1A1 P00352 9/20 0.51
SMN1; SMN2 Q16637 7/20 0.51
HTT P42858 4/20 0.51
LMNA P02545 3/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
IMPDH2 P12268 1/20 0.47
POLB P06746 2/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 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
SCHEMBL29071729 0.82 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HTTLMNAMAPT
SCHEMBL29071736 0.79 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HTTLMNAMAPT
SCHEMBL14352700 0.78 DHFR (0.53) DHFRLMNAMAPTNPC1RAB9A
SCHEMBL29071733 0.78 CNR1 (0.53) ALDH1A1SMN1; SMN2HTTLMNAMAPT
SCHEMBL27691989 0.77 DHFR (0.51) DHFRLMNAMAPTKMT2AL3MBTL1
SCHEMBL11848198 0.77 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2HTTLMNAMAPT
SCHEMBL4850756 0.77 POLB (0.43) DHFRALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL4850760 0.77 POLB (0.43) DHFRALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL2189025 0.74 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HTTLMNAMAPT
SCHEMBL379309 0.74 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2HTTLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7364825-B2 Charge transport materials having a nitrogen-containing-heterocycle hydrazone group SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-04-29 US disclosed
US-20060177750-A1 Charge transport materials having a nitrogen-containing-heterocycle hydrazone group S-PRINTING SOLUTION CO., LTD. (KR) 2006-08-10 US disclosed
US-7049312-B1 Benzothiazinone and benzoxazinone compounds ABBOTT GMBH & CO. KG (DE) 2006-05-23 US disclosed
EP-1181282-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP disclosed
WO-2000075139-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2000-12-14 WO 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-20060177750-A1 Charge transport materials having a nitrogen-containing-heterocycle hydrazone group SLC1A2, SLC9B2, SLC6A19 DHFR 2490/4885ALDH1A1 1928/4885SMN1; SMN2 4064/4885

“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.