Sugi Predict

Sugi Predict / Compounds / SCHEMBL5771963

SCHEMBL5771963

SCHEMBL5771963

O/N=C/c1c(F)cccc1I

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ LMNA P02545 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ USP2 O75604 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ PBRM1 Q86U86 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ ABCG2 Q9UNQ0 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
SCHEMBL5771965 1.00 NFE2L2 (0.35) NFE2L2POLBLMNAALDH1A1USP2
SCHEMBL4398103 0.85 POLB (0.44) NFE2L2POLBLMNAALDH1A1USP2
SCHEMBL4398099 0.85 POLB (0.44) NFE2L2POLBLMNAALDH1A1USP2
SCHEMBL20148150 0.85 POLB (0.44) NFE2L2POLBLMNAALDH1A1USP2
Hydrochloric Acid SCHEMBL28114698 0.83 POLB (0.43) NFE2L2POLBLMNAALDH1A1USP2
SCHEMBL19779833 0.76 ACHE (0.43) NFE2L2POLBLMNAALDH1A1USP2
SCHEMBL19900300 0.76 MAOB (0.43) NFE2L2POLBLMNAALDH1A1USP2
SCHEMBL2164318 0.76 CYP1A2 (0.54) LMNAALDH1A1SMN1; SMN2RAB9APBRM1
SCHEMBL29385007 0.76 CYP1A2 (0.54) LMNAALDH1A1SMN1; SMN2RAB9APBRM1
SCHEMBL5302952 0.76 CYP1A2 (0.54) LMNAALDH1A1SMN1; SMN2RAB9APBRM1

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
WO-2021079962-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND/OR TREATMENT OF HEARING LOSS 国立大学法人大阪大学 2021-04-29 — — WO disclosed
EP-1224189-B1 CONDENSED DIHYDROQUINOLINONE DERIVATIVES FOR INHIBITING MRP1 LILLY CO ELI (US) 2006-01-25 — — EP disclosed
US-20040077675-A1 Compounds and methods for inhibiting MRP1 BONJOUKLIAN ROSANNE (US) 2004-04-22 — — US disclosed
US-6670373-B1 Inhibiting resistant neoplasms where the resistance is conferred by multidrug resistance protein; N-3,4,5-trimethoxyphenyl-3-(3-azidomethyl-isoxazolo(4,5-c) -1,2-dihydro-6-chloro-quinolin-2-on-1-yl)phenylacetamide ELI LILLY AND COMPANY 2003-12-30 — — US disclosed
EP-1224189-A2 CONDENSED DIHYDROQUINOLINONE DERIVATIVES FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2002-07-24 — — EP disclosed
WO-2001027116-A2 CONDENSED DIHYDROQUINOLINONE DERIVATIVES FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2001-04-19 — — 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-20040077675-A1 Compounds and methods for inhibiting MRP1 ABCC1, ABCB1, ABCB11 NFE2L2 967/4885POLB 979/4885LMNA 2127/4885

“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.