Sugi Predict

Sugi Predict / Compounds / SCHEMBL7649873

SCHEMBL7649873

SCHEMBL7649873

O=Cc1ccc2[nH]c(CO)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ CYP2A6 P11509 2/20 0.41
▸ KIF11 P52732 2/20 0.39
▸ HDAC3 O15379 2/20 0.39
▸ HDAC4 P56524 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC7 Q8WUI4 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ HDAC10 Q969S8 2/20 0.39
▸ HDAC11 Q96DB2 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC9 Q9UKV0 2/20 0.39
▸ HDAC5 Q9UQL6 2/20 0.39
▸ RHEB Q15382 1/20 0.38
▸ GAA P10253 2/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ HSD17B10 Q99714 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
SCHEMBL7649879 0.87 TDP1 (0.59) TDP1NPSR1CYP2A6HDAC1GAA
SCHEMBL4246422 0.80 MAPT (0.50) TDP1NPSR1CYP2A6KIF11HDAC3
SCHEMBL13991769 0.80 GAA (0.62) TDP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7245705 0.78 CYP2A6 (0.44) TDP1CYP2A6KIF11GAAKDM4E
SCHEMBL7655788 0.78 CACNA1H (0.40) CYP2A6HSD17B10POLB
SCHEMBL7654751 0.77 HTT (0.64) GAAPOLBTSHR
SCHEMBL7661749 0.75 SMN1; SMN2 (0.61) GAAKDM4EHSD17B10RAB9APOLB
SCHEMBL4244757 0.75 TDP1 (0.39) TDP1NPSR1CYP2A6HDAC3HDAC4
SCHEMBL19364798 0.75 CYP2A6 (0.44) CYP2A6KIF11KDM4EPTGS2RAB9A
SCHEMBL4742869 0.75 ALDH1A1 (0.48) TDP1CYP2A6KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012002527-A1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR あすか製薬株式会社 (JP) 2012-01-05 — — WO disclosed
US-6399642-B2 TRIS BENZIMIDAZOLES; FUNGICIDES, ANTICARCINOGENIC AGENTS, ENZYME INHIBITOR RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2002-06-04 — — US disclosed
US-20010009919-A1 Heterocyclic topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2001-07-26 — — US disclosed
US-6221892-B1 Heterocyclic topoisomerase poisons THE STATE OF UNIVERSITY OF NEW JERSEY, RUTGERS 2001-04-24 — — US disclosed
EP-1054870-A1 HETEROCYCLIC TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2000-11-29 — — EP disclosed
US-6063801-A Heterocyclic topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2000-05-16 — — US disclosed
WO-1999041241-A1 HETEROCYCLIC TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1999-08-19 — — 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 (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-20010009919-A1 Heterocyclic topoisomerase poisons TOP1, TOP2A, TOP2B TDP1 4/4885NPSR1 4090/4885CYP2A6 1329/4885

“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.