SCHEMBL4602237

SCHEMBL4602237

Cc1ccccc1NC(=O)Cc1ccc(Oc2cc(Cl)ccc2Br)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 5/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.43
MAPT P10636 4/20 0.43
HTT P42858 1/20 0.43
KCNQ2 O43526 1/20 0.43
P2RX7 Q99572 1/20 0.42
KDM4E B2RXH2 1/20 0.42
S1PR4 O95977 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK10 P53779 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) HPGDSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL4604508 0.88 ALDH1A1 (0.49) HPGDSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL2638641 0.86 MEN1 (0.53) HPGDSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL14169446 0.82 TAS1R3 (0.53) HPGDSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL2638875 0.81 MEN1 (0.52) HPGDSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL2639678 0.79 MEN1 (0.50) HPGDSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL4602432 0.79 CA12 (0.42) HPGDSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL14169685 0.77 GAA (0.46) ALDH1A1L3MBTL1MAPT
SCHEMBL4604847 0.77 HPGD (0.47) HPGDSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL4603317 0.77 CA1 (0.61) ALDH1A1LMNAMEN1KMT2A

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 HPGD 1052/4885SMN1; SMN2 3367/4885ALDH1A1 196/4885

“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.