SCHEMBL4604508

SCHEMBL4604508

O=C(Cc1ccc(Oc2cc(Cl)ccc2Br)c(Cl)c1)Nc1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
GAA P10253 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 2/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 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
SCHEMBL4602832 0.91 MEN1 (0.56) ALDH1A1GAASMN1; SMN2KDM4EKMT2A
SCHEMBL4602237 0.88 HPGD (0.48) ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL2638641 0.80 MEN1 (0.53) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL2638875 0.79 MEN1 (0.52) ALDH1A1GAASMN1; SMN2KDM4EKMT2A
SCHEMBL2639678 0.77 MEN1 (0.50) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL4603317 0.77 CA1 (0.61) ALDH1A1KMT2AMEN1CA12CA1
SCHEMBL14169685 0.73 GAA (0.46) ALDH1A1GAAMAPTL3MBTL1CHRM1
SCHEMBL4602432 0.72 CA12 (0.42) ALDH1A1GAASMN1; SMN2KDM4EKMT2A
SCHEMBL4603542 0.71 MEN1 (0.53) ALDH1A1GAASMN1; SMN2KDM4EKMT2A
SCHEMBL31078200 0.70 MEN1 (0.62) ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1

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 196/4885GAA 943/4885SMN1; SMN2 3367/4885

“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.