Sugi Predict

Sugi Predict / Compounds / SCHEMBL4811037

SCHEMBL4811037

SCHEMBL4811037

CCCn1c(Cc2ccc(Cl)c(Oc3cccc(Cl)c3)c2)n[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 2/20 0.46
▸ GABRD O14764 2/20 0.46
▸ GABRA1 P14867 2/20 0.46
▸ GABRB1 P18505 2/20 0.46
▸ GABRG2 P18507 2/20 0.46
▸ GABRB3 P28472 2/20 0.46
▸ GABRA5 P31644 2/20 0.46
▸ GABRA3 P34903 2/20 0.46
▸ GABRA2 P47869 2/20 0.46
▸ GABRB2 P47870 2/20 0.46
▸ GABRA4 P48169 2/20 0.46
▸ GABRE P78334 2/20 0.46
▸ GABRA6 Q16445 2/20 0.46
▸ GABRG1 Q8N1C3 2/20 0.46
▸ GABRG3 Q99928 2/20 0.46
▸ GABRQ Q9UN88 2/20 0.46
▸ CYP3A4 P08684 2/20 0.42
▸ ALDH1A1 P00352 5/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38

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 0.92 CYP3A4 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4805444 0.89 CYP3A4 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4809687 0.82 NCOA1 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5394843 0.81 CYP3A4 (0.42) CYP3A4ALDH1A1POLBLMNAGAA
SCHEMBL4805650 0.79 CYP3A4 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4807235 0.79 APOBEC3G (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4806940 0.77 LMNA (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4808827 0.77 CYP3A4 (0.48) CYP3A4P2RX3HTR2ASLC6A4KCNH2
SCHEMBL5365181 0.74 CYP3A4 (0.67) CYP3A4HTR2ASLC6A4KCNH2RHEB
SCHEMBL5411461 0.73 APOBEC3G (0.40) CYP3A4ALDH1A1SMN1; SMN2POLBLMNA

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
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-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

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 GABRP 4307/4885GABRD 4317/4885GABRA1 4565/4885

“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.