SCHEMBL1932844

SCHEMBL1932844

COc1ccc2c(c1)c([Sn](C)(C)C)nn2C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
HSD17B10 Q99714 5/20 0.45
KDM4E B2RXH2 5/20 0.45
MAPT P10636 5/20 0.45
HPGD P15428 4/20 0.45
HTT P42858 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
HTR3A P46098 1/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
ADRB2 P07550 1/20 0.39
MCHR1 Q99705 1/20 0.38
TSHR P16473 3/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38

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
SCHEMBL14738334 0.79 MAOA (0.42) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL13202490 0.78 ADORA2A (0.55) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL14737989 0.77 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL29923672 0.77 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL13899583 0.77 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL2320642 0.77 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL24915548 0.74 KDM4E (0.45) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL10221610 0.74 MAPT (0.45) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL10271494 0.74 HSD17B10 (0.45) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL1964671 0.72 HTR3A (0.55) ALDH1A1HSD17B10KDM4EMAPTHPGD

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-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 US disclosed
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 US disclosed
EP-2506713-A1 NOVEL TRICYCLIC COMPOUNDS Abbott Laboratories (US) 2012-10-10 EP disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 US disclosed
WO-2011068899-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-09 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 (2 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-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS CCNI, IL2, IL4I1 ALDH1A1 305/4885HSD17B10 391/4885KDM4E 3487/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 ALDH1A1 305/4885HSD17B10 391/4885KDM4E 3487/4885

“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.