SCHEMBL6774672

SCHEMBL6774672

Cn1cc(NC(=O)OC(C)(C)C)c(-n2nnc3ccccc32)c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.38
BRD4 O60885 5/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
APAF1 O14727 2/20 0.37
TDP2 O95551 1/20 0.37
MAPT P10636 1/20 0.37
CNR2 P34972 1/20 0.37
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
BCHE P06276 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OGFRL1 Q5TC84 1/20 0.34
EGLN3 Q9H6Z9 1/20 0.34
ACSS2 Q9NR19 1/20 0.34
LPAR1 Q92633 1/20 0.34

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
SCHEMBL6780101 0.73 BRD4 (0.42) BRD4NPC1RAB9AAPAF1TDP2
SCHEMBL18254251 0.70 NR4A2 (0.49) NPC1RAB9AMAPTCNR2GAA
SCHEMBL888267 0.69 HDAC3 (0.47) BRD4NPC1RAB9AKMT2AACSS2
SCHEMBL6834321 0.69 CNR2 (0.38) BRD9BRD4MAPTCNR2GAA
SCHEMBL7055809 0.68 CNR2 (0.42) BRD9BRD4MAPTCNR2ACSS2
SCHEMBL14500160 0.68 CYP4Z1 (0.44) BRD4NPC1RAB9AGAAKMT2A
SCHEMBL6777572 0.67 SIRT2 (0.46) BRD4NPC1RAB9AGAAKMT2A
SCHEMBL27402198 0.67 BRD4 (0.53) BRD4NPC1RAB9AKMT2AMEN1
SCHEMBL14441948 0.67 HDAC3 (0.44) BRD4NPC1RAB9AKMT2AACSS2
SCHEMBL8536509 0.67 RAB9A (0.44) BRD4NPC1RAB9AAPAF1GAA

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-10869934-B2 Antiproliferative compounds and conjugates made therefrom BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-22 US disclosed
US-6683189-B1 POLYAMIDE-OLIGONUCLEOTIDE CONJUGATES; NETROPSIN AND DISTAMYCIN A SYNTHESIS CALIFORNIA INSTITUTE OF TECHNOLOGY 2004-01-27 US disclosed
US-6545162-B1 Solid phase biosynthesis of viricide antibiotic CALIFORNIA INSTITUTE OF TECHNOLOGY 2003-04-08 US disclosed
EP-0885189-B9 METHOD FOR THE SYNTHESIS OF POLY-PYRROLE AND POLY-IMIDAZOLE CARBOXAMIDES ON A SOLID SUPPORT CALIFORNIA INST OF TECHN (US) 2003-04-02 EP disclosed
US-6090947-A Method for the synthesis of pyrrole and imidazole carboxamides on a solid support CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2000-07-18 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-10869934-B2 Antiproliferative compounds and conjugates made therefrom MKI67, HDGF, PCLAF BRD9 4095/4885BRD4 3890/4885NPC1 2913/4885

“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.