SCHEMBL8253165

SCHEMBL8253165

CCOC(=O)c1[nH]c2ccoc2c1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ GAA P10253 4/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HPGD P15428 4/20 0.42
▸ HTR6 P50406 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ALOX15 P16050 3/20 0.40
▸ TUBB4A P04350 2/20 0.40
▸ TUBB P07437 2/20 0.40
▸ TUBA3C P0DPH7 2/20 0.40
▸ TUBA1B P68363 2/20 0.40
▸ TUBA4A P68366 2/20 0.40
▸ TUBB4B P68371 2/20 0.40

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 0.84 KDM4E (0.38) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL12388700 0.79 KDM4E (0.41) KDM4EALDH1A1GAANPC1MAPT
SCHEMBL13395478 0.78 KDM4E (0.44) KDM4EALDH1A1GAANPC1MAPT
SCHEMBL1242676 0.77 DAO (0.42) KDM4EALDH1A1HPGD
SCHEMBL30990197 0.75 ALOX15 (0.44) KDM4EALDH1A1GAANPC1MAPT
SCHEMBL2724382 0.74 KDM4E (0.63) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL30797259 0.74 KDM4E (0.63) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL13395589 0.72 KDM4E (0.41) KDM4EALDH1A1GAANPC1MAPT
SCHEMBL830378 0.71 ALDH1A1 (0.71) KDM4EALDH1A1GAANPC1MAPT
SCHEMBL2351650 0.71 GABRA1 (0.60) KDM4EALDH1A1GAANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029741-A1 FUSED HETEROCYCLES SEPRACOR INC. (US) 2010-02-04 — — US disclosed
US-7579370-B2 Fused heterocycles SEPRACOR INC. (US) 2009-08-25 — — US disclosed
WO-2009020814-A2 FUSED HETEROCYCLES SEPRACOR INC. (US) 2009-02-12 — — WO disclosed
US-20080004328-A1 FUSED HETEROCYCLES 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 (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-20100029741-A1 FUSED HETEROCYCLES CHRNA4, CHRNB4, CHRNA3 KDM4E 3881/4885ALDH1A1 2027/4885GAA 3012/4885
US-20080004328-A1 FUSED HETEROCYCLES HRH3, HRH4, AHR KDM4E 3354/4885ALDH1A1 2543/4885GAA 4425/4885

“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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