SCHEMBL4596622

SCHEMBL4596622

O=C(O)NC(Cc1ccccc1)CC1Cc2cc(F)cc(-c3ccc(Cl)cc3Cl)c2O1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.56
SHMT1 P34896 1/20 0.37
PTGS2 P35354 1/20 0.35
EGFR P00533 2/20 0.35
PSMB5 P28074 3/20 0.33
ERAP1 Q9NZ08 2/20 0.33
PPARA Q07869 2/20 0.33
CYP3A4 P08684 1/20 0.33
UGCG Q16739 1/20 0.33
PPARG P37231 1/20 0.32
CAPN1 P07384 1/20 0.32
MME P08473 1/20 0.32

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
SCHEMBL6373731 0.93 AQP1 (0.47) AQP1PTGS2EGFRPSMB5ERAP1
SCHEMBL6368102 0.86 AQP1 (0.40) AQP1PPARAPPARGCAPN1MME
SCHEMBL4596608 0.85 MMEL1 (0.39) AQP1PTGS2EGFRPSMB5CAPN1
SCHEMBL4595337 0.83 PTGS2 (0.38) AQP1PTGS2EGFRPSMB5CAPN1
SCHEMBL4595205 0.81 AQP1 (0.37) AQP1MME
SCHEMBL4596666 0.81 AQP1 (0.36) AQP1SHMT1PTGS2MME
SCHEMBL4220793 0.80 MME (0.40) AQP1PSMB5CAPN1MME
SCHEMBL6374679 0.79 AQP1 (0.38) AQP1PTGS2EGFRCAPN1
SCHEMBL4235061 0.78 AQP1 (0.65) AQP1SHMT1
SCHEMBL4233585 0.77 AQP1 (0.39) AQP1PSMB5MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2005-11-24 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-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A AQP1 2290/4885SHMT1 1715/4885PTGS2 2436/4885

“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.