SCHEMBL4603690

SCHEMBL4603690

COc1ccc(NC(=O)Cc2ccc(Oc3cc(C#N)cc(C#N)c3)c(Cl)c2)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 4/20 0.45
GAA P10253 3/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CHEK1 O14757 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 1/20 0.42
NOD2 Q9HC29 1/20 0.41
S1PR4 O95977 1/20 0.41
ROCK2 O75116 1/20 0.41

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
SCHEMBL2639083 0.93 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1GAAMAPTKDM4E
SCHEMBL4604641 0.89 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1GAAMAPTTSHR
SCHEMBL4604847 0.87 HPGD (0.47) SMN1; SMN2ALDH1A1GAAMAPTHPGD
SCHEMBL4603118 0.85 MAPT (0.54) SMN1; SMN2ALDH1A1GAAMAPTHPGD
SCHEMBL4602575 0.84 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1MAPTHPGDTSHR
SCHEMBL4604063 0.83 MRGPRX4 (0.45) SMN1; SMN2ALDH1A1GAAMAPTCA12
SCHEMBL4603727 0.82 CA1 (0.49) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL4603448 0.81 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1GAAMAPTHPGD
SCHEMBL4603769 0.81 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1GAAMAPTKDM4E
SCHEMBL4606459 0.80 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1GAAMAPTKDM4E

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
EP-1940781-A1 PHENYL-ACETAMIDE NNRT INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-07-09 EP claimed
WO-2007045573-A1 PHENYL-ACETAMIDE NNRT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-26 WO claimed
EP-1940781-A1 PHENYL-ACETAMIDE NNRT INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-07-09 EP disclosed
US-7388111-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2008-06-17 US disclosed
WO-2007045573-A1 PHENYL-ACETAMIDE NNRT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-26 WO disclosed
US-20070088053-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2007-04-19 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-20070088053-A1 Non-nucleoside reverse transcriptase inhibitors SAMHD1, QTRT1, RTF1 SMN1; SMN2 3367/4885ALDH1A1 196/4885GAA 943/4885

“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.