SCHEMBL4876735

SCHEMBL4876735

COc1ccccc1N(CCCCl)C(=O)CCl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.52
ALDH1A1 P00352 2/20 0.52
PAX8 Q06710 3/20 0.49
NPC1 O15118 2/20 0.46
JAK2 O60674 2/20 0.46
RAB9A P51151 2/20 0.46
MITF O75030 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
PABPC1 P11940 1/20 0.42
RNF4 P78317 1/20 0.40
POLB P06746 4/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 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
SCHEMBL9614093 0.85 PAX8 (0.50) TP53ALDH1A1PAX8NPC1JAK2
SCHEMBL23817955 0.82 SMN1; SMN2 (0.60) TP53ALDH1A1PAX8NPC1JAK2
SCHEMBL11865186 0.79 L3MBTL1 (0.49) TP53ALDH1A1PAX8NPC1JAK2
SCHEMBL9613991 0.78 PAX8 (0.45) TP53ALDH1A1PAX8NPC1JAK2
SCHEMBL5656279 0.78 L3MBTL1 (0.47) ALDH1A1PAX8NPC1JAK2RAB9A
SCHEMBL11267655 0.77 ALDH1A1 (0.47) TP53ALDH1A1L3MBTL1SMN1; SMN2PABPC1
SCHEMBL14229107 0.77 CYP1A2 (0.54) TP53ALDH1A1L3MBTL1SMN1; SMN2PABPC1
SCHEMBL10627183 0.76 PAX8 (0.43) TP53ALDH1A1PAX8NPC1JAK2
SCHEMBL11258983 0.75 ALDH1A1 (0.45) TP53ALDH1A1L3MBTL1SMN1; SMN2PABPC1
SCHEMBL11266461 0.75 ALDH1A1 (0.45) TP53ALDH1A1L3MBTL1SMN1; SMN2PABPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096922-A1 Novel Sulfonamide derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-04-24 US disclosed
US-20070078120-A1 Novel piperidine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-05 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 EP disclosed
EP-1679069-A1 NOVEL PIPERIDINE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-07-12 EP 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 (2 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-20080096922-A1 Novel Sulfonamide derivative NR4A1, NR4A2, NR4A3 TP53 4043/4885ALDH1A1 2899/4885PAX8 1284/4885
US-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 TP53 4462/4885ALDH1A1 2990/4885PAX8 3212/4885

“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.