SCHEMBL4602832

SCHEMBL4602832

O=C(Cc1ccc(Oc2cc(Cl)ccc2Br)c(Cl)c1)Nc1ccccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
HPGD P15428 3/20 0.51
ALDH1A1 P00352 3/20 0.51
P2RX4 Q99571 1/20 0.44
MAPT P10636 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
LMNA P02545 2/20 0.43
CHRM1 P11229 1/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KCNQ2 O43526 3/20 0.43
HTT P42858 1/20 0.43
CA12 O43570 2/20 0.42

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
SCHEMBL4604508 0.91 ALDH1A1 (0.49) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL4602237 0.91 HPGD (0.48) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL2638641 0.89 MEN1 (0.53) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL2638875 0.88 MEN1 (0.52) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL2639678 0.86 MEN1 (0.50) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL4603317 0.79 CA1 (0.61) MEN1KMT2AALDH1A1P2RX4LMNA
SCHEMBL2639714 0.77 HPGD (0.50) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL2639370 0.76 MEN1 (0.51) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL2638663 0.76 MEN1 (0.56) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL14169685 0.75 GAA (0.46) ALDH1A1MAPTL3MBTL1CHRM1GAA

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 MEN1 4639/4885KMT2A 989/4885HPGD 1052/4885

“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.