SCHEMBL6500838

SCHEMBL6500838

COc1ccc(CN2CCN(c3ccc(NC(=O)C4=C(c5ccc(C(F)(F)F)cc5)CCCC4)cc3)CC2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
ALDH1A1 P00352 4/20 0.56
USP2 O75604 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HSD17B10 Q99714 2/20 0.56
LMNA P02545 1/20 0.56
HPGD P15428 1/20 0.56
PPARD Q03181 1/20 0.49
PPARA Q07869 1/20 0.49
ABCB1 P08183 4/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C8 P10632 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2B6 P20813 1/20 0.49
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HTR1A P08908 1/20 0.47

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
SCHEMBL6496541 0.89 MAPT (0.57) MAPTALDH1A1USP2SMN1; SMN2HSD17B10
SCHEMBL6490947 0.86 HIF1A (0.51) MAPTALDH1A1SMN1; SMN2LMNAPPARD
SCHEMBL6490805 0.86 HIF1A (0.64) MAPTALDH1A1USP2SMN1; SMN2HSD17B10
SCHEMBL6490911 0.85 HIF1A (0.53) MAPTALDH1A1SMN1; SMN2LMNACYP3A4
SCHEMBL6488692 0.83 SLC2A1 (0.52) MAPTALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL6501481 0.82 CA1 (0.52) MAPTALDH1A1LMNAKDM4EHIF1A
SCHEMBL6490755 0.81 CA1 (0.51) MAPTALDH1A1LMNAKDM4EHIF1A
SCHEMBL6499822 0.80 MAPKAPK2 (0.46) MAPTALDH1A1USP2PPARDPPARA
SCHEMBL6499289 0.80 SRPK1 (0.51) HIF1AEPAS1
SCHEMBL6490778 0.80 MAPKAPK2 (0.46) MAPTALDH1A1LMNAKDM4EKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 US disclosed
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 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 (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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 MAPT 4202/4885ALDH1A1 1603/4885USP2 1608/4885

“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.