SCHEMBL22005113

SCHEMBL22005113

Cn1c(-c2ccccc2)cc2cc(C(=O)N3CCC3)ccc21

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.58
PADI4 Q9UM07 1/20 0.54
HPGD P15428 8/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 2/20 0.50
GHSR Q92847 1/20 0.49
CYP19A1 P11511 1/20 0.49
TSHR P16473 1/20 0.49
POLB P06746 1/20 0.48
ACLY P53396 2/20 0.48
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CNR2 P34972 1/20 0.46
MTHFD2 P13995 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL22005115 0.84 HPGD (0.48) FASNPADI4HPGDMAPK1KMT2A
SCHEMBL22004148 0.77 KMT2A (0.54) FASNHPGDKMT2ACYP19A1TSHR
SCHEMBL17404507 0.74 FASN (1.00) FASN
SCHEMBL25145101 0.73 PADI4 (0.61) FASNPADI4HPGDKMT2AALDH1A1
SCHEMBL11749917 0.71 CYP19A1 (0.58) FASNHPGDKMT2ACYP19A1TSHR
SCHEMBL30547738 0.71 HPGD (0.58) HPGDKMT2ATSHRPOLBMAPT
SCHEMBL2614250 0.71 TSHR (0.71) HPGDMAPK1KMT2AGHSRTSHR
SCHEMBL5332167 0.71 KMT2A (0.60) FASNHPGDKMT2ACYP19A1ACLY
SCHEMBL31400972 0.70 ACLY (0.51) FASNKMT2ACYP19A1TSHRACLY
SCHEMBL3381195 0.70 ACLY (0.51) FASNKMT2ACYP19A1TSHRACLY

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
WO-2020102616-A1 ACLY INHIBITORS AND USES THEREOF Nimbus Artemis, Inc. (US) 2020-05-22 WO disclosed
US-20200157076-A1 ACLY INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2020-05-21 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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG FASN 552/4885PADI4 945/4885HPGD 1212/4885

“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.