SCHEMBL5411461

SCHEMBL5411461

Cn1c(Cc2ccc(Cl)c(Oc3ccccc3Cl)c2)n[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 2/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 2/20 0.39
LMNA P02545 2/20 0.39
MTNR1B P49286 1/20 0.38
CYP3A4 P08684 2/20 0.37
HTR2C P28335 1/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MPI P34949 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36
TSHR P16473 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL4799252 0.88 APOBEC3G (0.45) APOBEC3GMAPK1GAALMNAMTNR1B
SCHEMBL4806940 0.87 LMNA (0.41) APOBEC3GGAALMNACYP3A4ALDH1A1
SCHEMBL4805650 0.85 CYP3A4 (0.47) APOBEC3GMAPK1GAALMNAMTNR1B
SCHEMBL4805444 0.84 CYP3A4 (0.45) APOBEC3GMAPK1GAAMTNR1BCYP3A4
SCHEMBL4807122 0.84 CYP3A4 (0.47) APOBEC3GMAPK1GAAMTNR1BCYP3A4
SCHEMBL4808423 0.83 APOBEC3G (0.42) APOBEC3GMAPK1GAALMNAMTNR1B
SCHEMBL4807235 0.82 APOBEC3G (0.40) APOBEC3GMAPK1GAALMNAMTNR1B
SCHEMBL4801931 0.80 CYP3A4 (0.55) APOBEC3GMAPK1GAAMTNR1BCYP3A4
SCHEMBL4808827 0.80 CYP3A4 (0.48) MTNR1BCYP3A4HTR2CSLC6A4FNTA
SCHEMBL5374337 0.76 CYP3A4 (0.47) CYP3A4SLC6A2SLC6A4SLC6A3FNTA

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 5 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-7208509-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2007-04-24 US disclosed
EP-1608633-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS I FOR TREATING HIV MEDIATED DISEASES F. Hoffmann-La Roche AG (CH) 2005-12-28 EP disclosed
WO-2004085411-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS I FOR TREATING HIV MEDIATED DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2004-10-07 WO disclosed
US-20040192704-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2004-09-30 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-20040192704-A1 Non-nucleoside reverse transcriptase inhibitors POLR1A, POLA1, REV1 APOBEC3G 1043/4885MAPK1 1269/4885GAA 351/4885

“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.