SCHEMBL4230701

SCHEMBL4230701

O=C(O)NCC1Cc2cc(Cl)cc(-c3ccc(Cl)cc3Cl)c2O1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.58
EZH2 Q15910 1/20 0.46
HPGD P15428 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CNR2 P34972 2/20 0.36
S1PR2 O95136 1/20 0.35
S1PR4 O95977 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35

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
SCHEMBL4225381 0.91 AQP1 (0.59) AQP1EZH2HPGDALDH1A1MEN1
SCHEMBL4225278 0.88 AQP1 (0.52) AQP1EZH2HPGDALDH1A1MEN1
SCHEMBL4221854 0.85 AQP1 (0.57) AQP1EZH2HPGDALDH1A1NPC1
SCHEMBL4236357 0.84 EZH2 (0.44) AQP1EZH2HPGDALDH1A1NPC1
SCHEMBL4220845 0.84 EZH2 (0.43) AQP1EZH2NPC1CYP1A2CYP2C19
SCHEMBL4219176 0.83 AQP1 (0.80) AQP1EZH2HPGDALDH1A1MEN1
SCHEMBL4224424 0.83 AQP1 (0.49) AQP1EZH2NPC1RAB9ASMN1; SMN2
SCHEMBL5140093 0.82 AQP1 (0.58) AQP1EZH2HPGDALDH1A1NPC1
SCHEMBL4220381 0.81 AQP1 (0.45) AQP1EZH2ALDH1A1S1PR2S1PR4
SCHEMBL4220880 0.81 AQP1 (0.42) AQP1EZH2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same WYETH (US) 2009-03-26 US disclosed
US-7435837-B2 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2008-10-14 US disclosed
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2005-06-30 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 (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-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same HTR2C, HTR1A, HTR3A AQP1 1105/4885EZH2 4552/4885HPGD 1445/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A AQP1 1105/4885EZH2 4552/4885HPGD 1445/4885

“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.