Sugi Predict

Sugi Predict / Compounds / SCHEMBL3201588

SCHEMBL3201588

SCHEMBL3201588

N#Cc1cc(Cl)cc(Oc2cc(CCc3ccccn3)[nH]c(=O)c2Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ IDH1 O75874 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ SLC22A12 Q96S37 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ DAO P14920 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
SCHEMBL3222210 0.85 DAO (0.41) CYP3A4CYP2D6CYP2C9KCNH2SLC22A12
SCHEMBL3220872 0.83 DAO (0.40) CYP11B1CYP11B2CYP3A4CYP2D6CYP2C9
SCHEMBL3213769 0.82 CYP19A1 (0.41) CYP11B1CYP11B2CYP3A4CYP2D6CYP2C9
SCHEMBL3098509 0.81 KCNH2 (0.39) CYP3A4CYP2D6CYP2C9KCNH2SLC22A12
SCHEMBL3208870 0.81 DAO (0.47) CYP3A4CYP2D6CYP2C9KCNH2GRM5
SCHEMBL3208890 0.81 GRM5 (0.41) CYP11B1CYP11B2CYP3A4CYP2D6CYP2C9
SCHEMBL3210112 0.79 RAB9A (0.39) CYP3A4CYP2D6CYP2C9KCNH2SMN1; SMN2
SCHEMBL3218219 0.79 GPR84 (0.41) CYP3A4CYP2D6CYP2C9KCNH2DAO
SCHEMBL3226832 0.79 CYP3A4 (0.40) CYP11B1CYP11B2CYP3A4CYP2C9IDH1
SCHEMBL13424683 0.78 KMT2A (0.40) CYP11B1CYP11B2CYP3A4CYP2D6CYP2C9

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-2010026075-A1 PYRIDINE DERIVATIVES AS INHIBITORS OF HIV-I REVERSE TRANSCRIPTASE F. HOFFMANN-LA ROCHE AG (CH) 2010-03-11 — — WO claimed
US-20100056535-A1 Inhibitors of HIV-1 reverse transcriptase ROCHE PALO ALTO LLC 2010-03-04 — — US claimed
WO-2010026075-A1 PYRIDINE DERIVATIVES AS INHIBITORS OF HIV-I REVERSE TRANSCRIPTASE F. HOFFMANN-LA ROCHE AG (CH) 2010-03-11 — — WO disclosed
WO-2010026075-A1 PYRIDINE DERIVATIVES AS INHIBITORS OF HIV-I REVERSE TRANSCRIPTASE F. HOFFMANN-LA ROCHE AG (CH) 2010-03-11 — — WO disclosed
US-20100056535-A1 Inhibitors of HIV-1 reverse transcriptase ROCHE PALO ALTO LLC 2010-03-04 — — US disclosed
US-20100056535-A1 Inhibitors of HIV-1 reverse transcriptase ROCHE PALO ALTO LLC 2010-03-04 — — US disclosed
US-20100056535-A1 Inhibitors of HIV-1 reverse transcriptase ROCHE PALO ALTO LLC 2010-03-04 — — 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-20100056535-A1 Inhibitors of HIV-1 reverse transcriptase QTRT1, NQO2, QTRT2 CYP11B1 2221/4885CYP11B2 2806/4885CYP3A4 1165/4885

“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.