SCHEMBL10176272

SCHEMBL10176272

Cn1ccnc1-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.47
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 5/20 0.46
HPGD P15428 4/20 0.46
HSD17B10 Q99714 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.46
ALOX15 P16050 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
TNKS O95271 1/20 0.42
HDAC4 P56524 2/20 0.42
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
EDNRA P25101 1/20 0.39

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
SCHEMBL7845612 0.84 KIF11 (0.47) KIF11KDM4EPOLBHDAC4MAPT
SCHEMBL10194263 0.80 KDM4E (0.51) ALDH1A1KDM4EHSD17B10TNKSHDAC4
SCHEMBL18367704 0.80 KIF11 (0.51) KIF11HDAC4KMT2AMEN1SIGMAR1
SCHEMBL16981887 0.77 CCNC (0.40) ALDH1A1KDM4EHSD17B10ALOX15HDAC4
SCHEMBL12775872 0.77 ESR1 (0.40) KDM4EHDAC4KMT2AMEN1EDNRA
SCHEMBL77337 0.77 HDAC4 (0.47) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL9451409 0.77 HDAC4 (0.47) ALDH1A1KDM4EHDAC4KMT2AMEN1
SCHEMBL2326291 0.77 IDO1 (0.47) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL16628325 0.77 HDAC4 (0.43) KDM4EHSD17B10HDAC4EDNRANPC1
SCHEMBL10558737 0.77 NR1H2 (0.45) ALDH1A1KDM4EHSD17B10POLBHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220000874-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2022-01-06 US disclosed
US-11136321-B2 Tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2021-10-05 US disclosed
US-20200407361-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2020-12-31 US disclosed
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 US disclosed
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 US disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 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 (4 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-20220000874-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL KIF11 1584/4885ALDH1A1 648/4885KDM4E 4358/4885
US-11136321-B2 Tricyclic compounds SLC10A1, PKD1, CEL KIF11 1584/4885ALDH1A1 648/4885KDM4E 4358/4885
US-20200407361-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL KIF11 1584/4885ALDH1A1 648/4885KDM4E 4358/4885
US-20120184541-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX KIF11 4433/4885ALDH1A1 3814/4885KDM4E 2909/4885

“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.