SCHEMBL20049233

SCHEMBL20049233

Cc1nsc2cc(C(C)(C)C)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.40
SCN10A Q9Y5Y9 2/20 0.36
KCNH2 Q12809 1/20 0.36
TSHR P16473 2/20 0.35
ALDH1A1 P00352 5/20 0.35
HPGD P15428 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
RECQL P46063 1/20 0.32
PLK4 O00444 1/20 0.32
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
CHUK O15111 1/20 0.32
PDPK1 O15530 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
SCHEMBL12211037 0.81 GRM4 (0.43) KIF11SCN10AKCNH2TSHRALDH1A1
SCHEMBL23478673 0.80 ALDH1A1 (0.48) KIF11SCN10AKCNH2ALDH1A1HPGD
SCHEMBL23478523 0.80 KIF11 (0.39) KIF11SCN10AKCNH2TSHRALDH1A1
SCHEMBL20047646 0.77 KIF11 (0.37) KIF11SCN10AKCNH2TSHRALDH1A1
SCHEMBL5985788 0.76 MAPT (0.37) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL1121782 0.73 CCNB2 (0.44) KIF11ALDH1A1TDP1MAPTPKM
SCHEMBL13202665 0.73 LSS (0.36) HPGDMEN1KMT2APDPK1JAK2
SCHEMBL2706410 0.71 ALDH1A1 (0.43) KIF11SCN10AKCNH2TSHRALDH1A1
SCHEMBL17050428 0.70 NPC1 (0.41) KIF11ALDH1A1HPGDMEN1KMT2A
SCHEMBL14011195 0.70 SMN1; SMN2 (0.41) KIF11KCNH2TSHRALDH1A1HPGD

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-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
WO-2018067704-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2018-04-12 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-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 KIF11 3428/4885SCN10A 4397/4885KCNH2 4515/4885

“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.