Sugi Predict

Sugi Predict / Compounds / SCHEMBL512760

SCHEMBL512760

SCHEMBL512760

CC1OC(C)C(c2ccccc2)c2nc(N)nc(N)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 2/20 0.36
▸ DCPS Q96C86 1/20 0.34
▸ HRH2 P25021 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ DHFR P00374 4/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ NUDT1 P36639 1/20 0.33
▸ CYP2D6 P10635 2/20 0.32
▸ HEXA P06865 1/20 0.32
▸ HEXB P07686 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ GMNN O75496 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ GLA P06280 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
SCHEMBL513416 0.79 NOS1 (0.38) NOS1DCPSHRH2HRH3DHFR
SCHEMBL512977 0.75 NOS1 (0.38) NOS1DCPSHRH2HRH3DHFR
SCHEMBL513286 0.71 HRH3 (0.41) NOS1DCPSHRH2HRH3DHFR
SCHEMBL512514 0.69 NOS1 (0.40) NOS1DCPSHRH2HRH3DHFR
SCHEMBL9105146 0.64 NOS1 (0.38) NOS1DCPSHRH2HRH3DHFR
SCHEMBL512761 0.63 NOS1 (0.37) NOS1DCPSHRH2HRH3DHFR
SCHEMBL513386 0.62 HRH4 (0.50) NOS1DCPSHRH2HRH3DHFR
SCHEMBL8634425 0.61 NOS1 (0.38) NOS1HRH2HRH3DHFRHSD17B10
SCHEMBL8636193 0.61 NOS1 (0.38) NOS1HRH2HRH3DHFRHSD17B10
SCHEMBL8636197 0.61 NOS1 (0.38) NOS1HRH2HRH3DHFRHSD17B10

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-20110212937-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2011-09-01 — — US claimed
WO-2011014535-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-03 — — WO claimed
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-02-02 — — US disclosed
US-20110212937-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2011-09-01 — — US disclosed
WO-2011014535-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-03 — — 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 (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-20110212937-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP NOS1 1045/4885DCPS 1814/4885HRH2 3316/4885
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP NOS1 1045/4885DCPS 1814/4885HRH2 3316/4885

“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.