SCHEMBL1244859

SCHEMBL1244859

COC(=O)c1[nH]c2cc(I)oc2c1I

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ GAA P10253 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ CREBBP Q92793 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ PSMB8 P28062 1/20 0.35
▸ TUBB4A P04350 4/20 0.34
▸ TUBB P07437 4/20 0.34
▸ TUBA3C P0DPH7 4/20 0.34
▸ TUBA1B P68363 4/20 0.34
▸ TUBA4A P68366 4/20 0.34
▸ TUBB4B P68371 4/20 0.34
▸ TUBB3 Q13509 4/20 0.34
▸ TUBB2A Q13885 4/20 0.34

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
SCHEMBL1244015 0.75 KDM4E (0.38) KDM4EALDH1A1GAAHSD17B10NPSR1
SCHEMBL30990197 0.70 ALOX15 (0.44) KDM4EALDH1A1GAANPSR1MAPT
SCHEMBL27385781 0.69 GABRA1 (0.44) KDM4EALDH1A1GAAHSD17B10NPSR1
SCHEMBL1242463 0.69 KDM4E (0.38) KDM4EALDH1A1GAAHSD17B10NPSR1
SCHEMBL3338049 0.68 MEN1 (0.58) KDM4EALDH1A1GAAHSD17B10NPSR1
SCHEMBL12388669 0.67 KDM4E (0.34) KDM4EALDH1A1GAAHSD17B10NPSR1
SCHEMBL2735787 0.67 KMT2A (0.55) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL19500074 0.66 KDM4C (0.37) KDM4EALDH1A1GAAHSD17B10NPSR1
SCHEMBL829225 0.66 MEN1 (0.45) KDM4EALDH1A1GAAHSD17B10NPSR1
SCHEMBL6400977 0.66 KDM4E (0.41) KDM4EALDH1A1GAAHSD17B10NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884124-B2 such as 2-Fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate acid, used for the treatment of neuropathic pain, Alzheimer's disease, schizophrenia, ataxia and convulsions SEPRACOR INC. (US) 2011-02-08 — — US disclosed
US-7884124-B2 such as 2-Fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate acid, used for the treatment of neuropathic pain, Alzheimer's disease, schizophrenia, ataxia and convulsions SEPRACOR INC. (US) 2011-02-08 — — US disclosed
US-7884124-B2 such as 2-Fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate acid, used for the treatment of neuropathic pain, Alzheimer's disease, schizophrenia, ataxia and convulsions SEPRACOR INC. (US) 2011-02-08 — — US disclosed
US-20080004327-A1 FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2008-01-03 — — US disclosed
US-20080004327-A1 FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2008-01-03 — — US disclosed
US-20080004327-A1 FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2008-01-03 — — 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-20080004327-A1 FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE DAO, DDO, AOX1 KDM4E 2046/4885ALDH1A1 622/4885GAA 830/4885

“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.

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