Sugi Predict

Sugi Predict / Compounds / SCHEMBL4809687

SCHEMBL4809687

SCHEMBL4809687

CCn1c(Cc2ccc(Cl)c(Oc3cccc(Br)c3)c2)n[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCOA1 Q15788 1/20 0.39
▸ NCOA3 Q9Y6Q9 1/20 0.39
▸ LMNA P02545 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ GABRP O00591 2/20 0.35
▸ GABRD O14764 2/20 0.35
▸ GABRA1 P14867 2/20 0.35
▸ GABRB1 P18505 2/20 0.35
▸ GABRG2 P18507 2/20 0.35
▸ GABRB3 P28472 2/20 0.35
▸ GABRA5 P31644 2/20 0.35
▸ GABRA3 P34903 2/20 0.35
▸ GABRA2 P47869 2/20 0.35
▸ GABRB2 P47870 2/20 0.35
▸ GABRA4 P48169 2/20 0.35
▸ GABRE P78334 2/20 0.35
▸ GABRA6 Q16445 2/20 0.35
▸ GABRG1 Q8N1C3 2/20 0.35
▸ GABRG3 Q99928 2/20 0.35
▸ GABRQ Q9UN88 2/20 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
SCHEMBL4806464 0.90 CYP3A4 (0.43) LMNAGAAGABRPGABRDGABRA1
SCHEMBL4807235 0.89 APOBEC3G (0.40) NCOA1NCOA3LMNAGAAGABRP
SCHEMBL4806940 0.83 LMNA (0.41) LMNAGAAGABRPGABRDGABRA1
SCHEMBL4811037 0.82 GABRP (0.46) LMNAGAAGABRPGABRDGABRA1
SCHEMBL4808423 0.79 APOBEC3G (0.42) LMNAGAAGABRPGABRDGABRA1
SCHEMBL4805444 0.79 CYP3A4 (0.45) GAAGABRPGABRDGABRA1GABRB1
SCHEMBL4799252 0.78 APOBEC3G (0.45) LMNAGAAALDH1A1APOBEC3GCYP3A4
SCHEMBL4805105 0.78 APOBEC3G (0.41) NCOA1NCOA3GAAALDH1A1APOBEC3G
SCHEMBL4810024 0.76 SLC22A12 (0.45) FNTAFNTBPGGT1BCYP3A4HTR2A
SCHEMBL5364926 0.76 CYP3A4 (0.54) FNTAFNTBPGGT1BCYP3A4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608633-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS I FOR TREATING HIV MEDIATED DISEASES HOFFMANN LA ROCHE (CH) 2016-04-20 — — EP disclosed
US-7348345-B2 Nonnucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2008-03-25 — — US disclosed
US-7348345-B2 Nonnucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2008-03-25 — — US disclosed
US-7348345-B2 Nonnucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2008-03-25 — — US disclosed
US-20070179157-A1 Nonnucleoside reverse transcriptase inhibitors DUNN JAMES P 2007-08-02 — — US disclosed
US-20070179157-A1 Nonnucleoside reverse transcriptase inhibitors DUNN JAMES P 2007-08-02 — — US disclosed
US-20070179157-A1 Nonnucleoside reverse transcriptase inhibitors DUNN JAMES P 2007-08-02 — — US disclosed
US-7208509-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2007-04-24 — — US disclosed
US-7208509-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2007-04-24 — — US disclosed
US-7208509-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2007-04-24 — — 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-20070179157-A1 Nonnucleoside reverse transcriptase inhibitors RRM2, RRM2B, SAMHD1 NCOA1 1591/4885NCOA3 2201/4885LMNA 2329/4885

“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.