SCHEMBL4596608

SCHEMBL4596608

O=C(O)NC(Cc1ccccc1)CC1Cc2cc(Cl)cc(-c3cc(Cl)ccc3Cl)c2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMEL1 Q495T6 1/20 0.39
PTGS2 P35354 1/20 0.37
AQP1 P29972 2/20 0.37
EGFR P00533 2/20 0.37
RORC P51449 1/20 0.37
FFAR2 O15552 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
CAPN1 P07384 3/20 0.35
EZH2 Q15910 1/20 0.35
PSMB11 A5LHX3 1/20 0.35
PSMA7 O14818 1/20 0.35
PSMB1 P20618 1/20 0.35
PSMA1 P25786 1/20 0.35
PSMA2 P25787 1/20 0.35
PSMA3 P25788 1/20 0.35
PSMA4 P25789 1/20 0.35
PSMB8 P28062 1/20 0.35
PSMB9 P28065 1/20 0.35
PSMA5 P28066 1/20 0.35
PSMB4 P28070 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
SCHEMBL4595337 0.94 PTGS2 (0.38) MMEL1PTGS2AQP1EGFRRORC
SCHEMBL6373731 0.93 AQP1 (0.47) MMEL1PTGS2AQP1EGFRRORC
SCHEMBL6374679 0.88 AQP1 (0.38) PTGS2AQP1EGFRSIRT2CAPN1
SCHEMBL4596622 0.85 AQP1 (0.56) PTGS2AQP1EGFRCAPN1PSMB5
SCHEMBL4596666 0.84 AQP1 (0.36) MMEL1PTGS2AQP1SIRT2EZH2
SCHEMBL4220793 0.82 MME (0.40) AQP1CAPN1PSMB8PSMB5MAPT
SCHEMBL4233585 0.82 AQP1 (0.39) AQP1PSMB8PSMB5MAPTALDH1A1
SCHEMBL6368102 0.78 AQP1 (0.40) AQP1CAPN1MAPTALDH1A1
SCHEMBL4224650 0.76 MME (0.41) CAPN1PSMB8PSMB5MAPTALDH1A1
SCHEMBL4596685 0.76 POLB (0.37) MAPTALDH1A1

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 MMEL1 4505/4885PTGS2 2436/4885AQP1 2290/4885

“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.