SCHEMBL4556923

SCHEMBL4556923

Cc1cccc(-c2cc([C@]3(C)CC(=O)N(C)C(=N)N3)no2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.35
MAPT P10636 3/20 0.35
PGR P06401 1/20 0.35
TP53 P04637 2/20 0.33
IP6K1 Q92551 1/20 0.32
IP6K3 Q96PC2 1/20 0.32
IP6K2 Q9UHH9 1/20 0.32
NOTUM Q6P988 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MAOB P27338 2/20 0.32
CSF1R P07333 1/20 0.32
HTR7 P34969 1/20 0.32
PTPN1 P18031 1/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL7557330 0.89 USP30 (0.35) MAPTPGRNPC1RAB9APTPN1
SCHEMBL4549176 0.87 BACE1 (0.35) HSD17B13
SCHEMBL4556670 0.81 PGR (0.34) MAPTPGRNOTUMKDM4EHSD17B10
SCHEMBL10186862 0.81 BACE1 (0.36) PGR
SCHEMBL4559993 0.79 PGR (0.40) MAPTPGRHSD17B10
SCHEMBL8414505 0.78 XDH (0.35) MAPTPGRNPC1RAB9A
SCHEMBL4559920 0.78 PGR (0.36) MAPTPGRNOTUMNPC1RAB9A
SCHEMBL8436765 0.77 PGR (0.36) MAPTPGRNOTUMHSD17B10
SCHEMBL4556676 0.77 PGR (0.36) MAPTPGRNPC1RAB9ASMN1; SMN2
SCHEMBL7541964 0.77 BACE1 (0.43) MAPTPGRNOTUMHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120232064-A1 ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2012-09-13 US disclosed
US-8168641-B2 Aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-01 US disclosed
US-20070287692-A1 ASPARTYL PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2007-12-13 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 (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-20120232064-A1 ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, BACE1 GRM5 901/4885MAPT 51/4885PGR 2393/4885
US-20070287692-A1 ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, BACE1 GRM5 901/4885MAPT 51/4885PGR 2393/4885

“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.