SCHEMBL14093592

SCHEMBL14093592

CCN(CC)CCN(CC)C(=O)c1sc2ccccc2c1Cl

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 1/20 0.80
▸ MCL1 Q07820 1/20 0.51
▸ MAPT P10636 10/20 0.51
▸ OGG1 O15527 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HPGD P15428 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ GLA P06280 1/20 0.45

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
SCHEMBL14093555 0.81 CD274 (0.62) CD274MCL1MAPTOGG1ALDH1A1
SCHEMBL7985430 0.79 MAPT (0.69) CD274MCL1MAPTOGG1ALDH1A1
SCHEMBL14093519 0.78 CD274 (0.57) CD274MAPTALDH1A1HDAC1HDAC8
SCHEMBL21851610 0.77 CD274 (0.71) CD274MCL1MAPTOGG1ALDH1A1
SCHEMBL14093593 0.76 CD274 (0.61) CD274MCL1MAPTOGG1ALDH1A1
SCHEMBL3456574 0.76 CD274 (0.70) CD274MCL1MAPTOGG1ALDH1A1
SCHEMBL11880536 0.76 CD274 (0.49) CD274MAPTALDH1A1MEN1KMT2A
SCHEMBL13167007 0.72 CD274 (0.63) CD274MCL1MAPTOGG1ALDH1A1
SCHEMBL14305722 0.71 CD274 (0.63) CD274MCL1MAPTOGG1ALDH1A1
SCHEMBL3454729 0.71 DYRK1A (0.72) CD274MCL1MAPTOGG1ALDH1A1

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
WO-2008103354-A2 MODULATORS OF ACETYL-COENZYME A CARBOXYLASE AND METHODS OF USE THEREOF CROPSOLUTION, INC. (US) 2008-08-28 — — WO disclosed
US-20080200461-A1 MODULATORS OF ACETYL-COENZYME A CARBOXYLASE AND METHODS OF USE THEREOF CROPSOLUTION, INC. 2008-08-21 — — US disclosed
US-20080200461-A1 MODULATORS OF ACETYL-COENZYME A CARBOXYLASE AND METHODS OF USE THEREOF CROPSOLUTION, INC. 2008-08-21 — — 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-20080200461-A1 MODULATORS OF ACETYL-COENZYME A CARBOXYLASE AND METHODS OF USE THEREOF ACACA, ACAT1, ACACB CD274 4725/4885MCL1 4611/4885MAPT 2153/4885

“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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