Sugi Predict

Sugi Predict / Compounds / SCHEMBL10045786

SCHEMBL10045786

SCHEMBL10045786

COC(=O)C(N)c1nc(-c2nc(-c3nc(C(=O)OCc4ccccc4)co3)co2)co1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAGLA Q9Y4D2 1/20 0.37
▸ PKM P14618 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ RAB9A P51151 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ LTA4H P09960 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL800427 0.89 ATM (0.38) DAGLAATMELANEALDH1A1RAB9A
SCHEMBL800936 0.83 ATM (0.41) DAGLAPKMATMELANETDP1
SCHEMBL10045787 0.82 MAPT (0.43) PKMATMALDH1A1RAB9ATSHR
SCHEMBL800428 0.79 ATM (0.46) ATMALDH1A1KMT2AMAPTMEN1
SCHEMBL10045782 0.79 MAPT (0.41) PKMATMELANEALDH1A1RAB9A
SCHEMBL10072672 0.78 MAPT (0.40) PKMATMELANEALDH1A1RAB9A
SCHEMBL12299153 0.78 CTSL (0.45) DAGLAATMMAPT
SCHEMBL800815 0.76 CTSL (0.44) ATMMAPT
SCHEMBL8334921 0.75 DAGLA (0.43) DAGLAATMALDH1A1RAB9ASMN1; SMN2
SCHEMBL15867717 0.74 TDP1 (0.46) DAGLAATMALDH1A1RAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518928-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-08-27 — — US disclosed
US-20120071527-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-22 — — US disclosed
US-8093235-B2 Macrocyclic compounds which stabilize G-Quadruplex DNA and RNA RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-01-10 — — US disclosed
US-8093235-B2 Macrocyclic compounds which stabilize G-Quadruplex DNA and RNA RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-01-10 — — US disclosed
US-20090156627-A1 THERAPEUTIC COMPOUNDS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-06-18 — — US disclosed
US-20090156627-A1 THERAPEUTIC COMPOUNDS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-06-18 — — 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 (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-20090156627-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, RECQL DAGLA 4631/4885PKM 3305/4885ATM 1305/4885
US-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 DAGLA 4609/4885PKM 3246/4885ATM 1276/4885

“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.