SCHEMBL6605591

SCHEMBL6605591

COc1ccc(Br)c2cc(C3CCCO3)oc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 3/20 0.38
KMT2A Q03164 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTT P42858 1/20 0.34
PDE4D Q08499 3/20 0.34
PDE4B Q07343 1/20 0.34
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL31482723 0.81 PDE4D (0.47) F2RL3ALDH1A1KDM4EPDE4DPDE4B
SCHEMBL6605704 0.81 MAPK1 (0.46) KMT2AALDH1A1KDM4ENPC1GAA
SCHEMBL31482697 0.79 PDE4D (0.42) F2RL3KMT2AALDH1A1KDM4EHTT
SCHEMBL6605529 0.77 F2 (0.42) F2RL3ALDH1A1KDM4EHTTPDE4D
SCHEMBL6605145 0.76 ALDH1A1 (0.51) KMT2AALDH1A1KDM4ENPC1RAB9A
SCHEMBL29463574 0.72 ALDH1A1 (0.40) KMT2AALDH1A1KDM4ENPC1GAA
SCHEMBL6608204 0.70 ALDH1A1 (0.36) KMT2AALDH1A1KDM4ENPC1GAA
SCHEMBL16345751 0.70 F2RL3 (0.46) F2RL3KMT2AALDH1A1KDM4ENPC1
SCHEMBL7433173 0.68 F2RL3 (0.41) F2RL3ALDH1A1KDM4EHTTPDE4D
SCHEMBL16345750 0.68 F2RL3 (0.45) F2RL3ALDH1A1KDM4ENPC1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257548-B1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2004-05-06 EP disclosed
EP-1257548-A1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE Darwin Discovery Limited (GB) 2002-11-20 EP disclosed
US-6455561-B1 ADMINISTERING BENZOFURAN DERIVATIVE FOR THERAPY OF DISEASE STATE THAT IS CAPABLE OF BEING MODULATED BY INHIBITION OF PHOSPHODIESTERASE IV OR TUMOUR NECROSIS FACTOR DARWIN DISCOVERY, LTD. (GB) 2002-09-24 US disclosed
US-20020022645-A1 Heterocyclic compounds and their therapeutic use DYKE HAZEL JOAN (GB) 2002-02-21 US disclosed
US-6331556-B2 BENZOFURAN-4-CARBOXYLIC ACID AMIDE DERIVATIVES USED AS PHOSPHODIESTERASE IV OR TUMOR NECROSIS FACTOR INHIBITORS DARWIN DISCOVERY, LTD. (GB) 2001-12-18 US disclosed
US-20010031777-A1 Heterocyclic compounds and their therapeutic use DARWIN DISCOVERY LIMITED (GB) 2001-10-18 US disclosed
WO-2001058895-A1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LIMITED (GB) 2001-08-16 WO 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-20010031777-A1 Heterocyclic compounds and their therapeutic use CYP2F1, CYP11B2, CYP3A7 F2RL3 3467/4885KMT2A 2401/4885RXFP1 947/4885
US-20020022645-A1 Heterocyclic compounds and their therapeutic use EPX, MPO, PDE3B F2RL3 138/4885KMT2A 3514/4885RXFP1 509/4885

“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.