SCHEMBL4602575

SCHEMBL4602575

Cc1cccc(NC(=O)Cc2ccc(Oc3cc(C#N)cc(C#N)c3)c(Cl)c2)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 3/20 0.46
HPGD P15428 1/20 0.46
RORC P51449 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AR P10275 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
CRHBP P24387 1/20 0.39
NPBWR1 P48145 1/20 0.39
CRHR2 Q13324 1/20 0.39

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
SCHEMBL2638925 0.92 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2LMNAHPGDRORC
SCHEMBL4604847 0.92 HPGD (0.47) ALDH1A1SMN1; SMN2LMNAHPGDRORC
SCHEMBL4603118 0.85 MAPT (0.54) ALDH1A1SMN1; SMN2HPGDRORCKMT2A
SCHEMBL4603448 0.85 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAHPGDRORC
SCHEMBL4603769 0.85 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HPGDRORCTDP1
SCHEMBL2639077 0.84 HPGD (0.47) ALDH1A1SMN1; SMN2LMNAHPGDRORC
SCHEMBL4603542 0.84 MEN1 (0.53) ALDH1A1SMN1; SMN2LMNAHPGDRORC
SCHEMBL4603690 0.84 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2LMNAHPGDRORC
SCHEMBL4602690 0.84 RORC (0.48) ALDH1A1SMN1; SMN2HPGDRORCMAPT
SCHEMBL2638619 0.82 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAHPGDRORC

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 ALDH1A1 196/4885SMN1; SMN2 3367/4885LMNA 3776/4885

“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.